 Entering Gaussian System, Link 0=g16
 Input=18_methylcyclopentanone_Chair_STD_B3LYPDBJ-def2SVPDr.in
 Output=18_methylcyclopentanone_Chair_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/18_methylcyclopentanone_Chair_STD/Gau-3794.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/18_methylcyclopentanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3798.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=18_methylcyclopentanone_Chair_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "18_methylcyclopentanone_Chair_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.561346000000      1.265532000000      0.172998000000
  C                                                 1.075011000000     -0.082384000000     -0.372450000000
  C                                                -0.949016000000      1.226539000000     -0.069358000000
  C                                                -1.318654000000     -0.252798000000      0.015396000000
  C                                                -0.029451000000     -1.065890000000      0.032823000000
  H                                                -1.198655000000      1.562128000000     -1.081455000000
  H                                                -1.551039000000      1.816556000000      0.620921000000
  O                                                -2.436471000000     -0.697326000000      0.059393000000
  H                                                -0.115613000000     -1.955716000000     -0.590107000000
  H                                                 0.122949000000     -1.406004000000      1.064587000000
  H                                                 1.054617000000      2.117373000000     -0.295556000000
  H                                                 0.767800000000      1.319480000000      1.246510000000
  C                                                 2.468129000000     -0.457422000000      0.107541000000
  H                                                 1.085579000000     -0.017304000000     -1.466677000000
  H                                                 2.491050000000     -0.538135000000      1.197571000000
  H                                                 3.202798000000      0.295018000000     -0.187539000000
  H                                                 2.788086000000     -1.416262000000     -0.305093000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           1          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.561346    1.265532    0.172998
      2          6           0        1.075011   -0.082384   -0.372450
      3          6           0       -0.949016    1.226539   -0.069358
      4          6           0       -1.318654   -0.252798    0.015396
      5          6           0       -0.029451   -1.065890    0.032823
      6          1           0       -1.198655    1.562128   -1.081455
      7          1           0       -1.551039    1.816556    0.620921
      8          8           0       -2.436471   -0.697326    0.059393
      9          1           0       -0.115613   -1.955716   -0.590107
     10          1           0        0.122949   -1.406004    1.064587
     11          1           0        1.054617    2.117373   -0.295556
     12          1           0        0.767800    1.319480    1.246510
     13          6           0        2.468129   -0.457422    0.107541
     14          1           0        1.085579   -0.017304   -1.466677
     15          1           0        2.491050   -0.538135    1.197571
     16          1           0        3.202798    0.295018   -0.187539
     17          1           0        2.788086   -1.416262   -0.305093
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.542155   0.000000
     3  C    1.530180   2.429368   0.000000
     4  C    2.421686   2.430864   1.527172   0.000000
     5  C    2.409195   1.533417   2.472099   1.524292   0.000000
     6  H    2.181565   2.894247   1.095116   2.124015   3.084661
     7  H    2.228549   3.389528   1.089512   2.168615   3.312036
     8  O    3.585056   3.590981   2.435232   1.203767   2.435219
     9  H    3.378911   2.230321   3.330539   2.171145   1.089613
    10  H    2.850303   2.173354   3.060265   2.123418   1.097014
    11  H    1.090180   2.201195   2.204381   3.368504   3.378787
    12  H    1.094514   2.163477   2.165087   2.888077   2.792604
    13  C    2.570735   1.520468   3.813646   3.793427   2.571716
    14  H    2.146863   1.096212   2.763914   2.834137   2.142738
    15  H    2.833147   2.162832   4.068567   3.999100   2.826321
    16  H    2.837103   2.168894   4.256672   4.559036   3.513981
    17  H    3.518375   2.172186   4.583219   4.280383   2.859277
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.756984   0.000000
     8  O    2.817597   2.723767   0.000000
     9  H    3.713439   4.213914   2.718782   0.000000
    10  H    3.893834   3.658411   2.839590   1.759860   0.000000
    11  H    2.450137   2.778464   4.498468   4.248088   3.890010
    12  H    3.056999   2.452644   3.967884   3.857524   2.806634
    13  C    4.351735   4.646315   4.910700   3.067136   2.704739
    14  H    2.803699   3.830517   3.898225   2.443088   3.043426
    15  H    4.818608   4.713340   5.059768   3.464105   2.525625
    16  H    4.666631   5.056447   5.731237   4.029853   3.734537
    17  H    5.036631   5.489683   5.286371   2.967105   2.996512
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.759791   0.000000
    13  C    2.964806   2.710304   0.000000
    14  H    2.435021   3.041276   2.140867   0.000000
    15  H    3.368158   2.534308   1.093254   3.056932   0.000000
    16  H    2.819100   3.005867   1.092235   2.493262   1.766142
    17  H    3.935935   3.738089   1.091794   2.490962   1.765598
                   16         17
    16  H    0.000000
    17  H    1.764733   0.000000
 Stoichiometry    C6H10O
 Framework group  C1[X(C6H10O)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.19D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.561346    1.265532    0.172998
      2          6           0        1.075011   -0.082384   -0.372450
      3          6           0       -0.949016    1.226539   -0.069358
      4          6           0       -1.318654   -0.252798    0.015396
      5          6           0       -0.029451   -1.065890    0.032823
      6          1           0       -1.198655    1.562128   -1.081455
      7          1           0       -1.551039    1.816556    0.620921
      8          8           0       -2.436471   -0.697326    0.059393
      9          1           0       -0.115613   -1.955716   -0.590107
     10          1           0        0.122949   -1.406004    1.064587
     11          1           0        1.054617    2.117373   -0.295556
     12          1           0        0.767800    1.319480    1.246510
     13          6           0        2.468129   -0.457421    0.107541
     14          1           0        1.085579   -0.017304   -1.466677
     15          1           0        2.491050   -0.538134    1.197571
     16          1           0        3.202798    0.295019   -0.187539
     17          1           0        2.788086   -1.416261   -0.305093
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.4414929           1.9527670           1.5305717
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      9     10     11     12     14     15     16     17
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   237 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   327 primitive gaussians,   237 cartesian basis functions
    27 alpha electrons       27 beta electrons
       nuclear repulsion energy       306.1006696928 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0250950854 Hartrees.
 Nuclear repulsion after empirical dispersion term =      306.0755746074 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:04 2021, MaxMem=  5637144576 cpu:               6.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  7.04D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   237   237   237   237   237 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               3.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "18_methylcyclopentanone_Chair_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:               6.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637027901 LenY=  5636971291
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -309.704677878685    
 DIIS: error= 2.88D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -309.704677878685     IErMin= 1 ErrMin= 2.88D-03
 ErrMax= 2.88D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.63D-03 BMatP= 5.63D-03
 IDIUse=3 WtCom= 9.71D-01 WtEn= 2.88D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.220 Goal=   None    Shift=    0.000
 GapD=    0.220 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.23D-03 MaxDP=1.71D-01              OVMax= 1.94D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.20D-03    CP:  1.03D+00
 E= -309.709660586419     Delta-E=       -0.004982707734 Rises=F Damp=F
 DIIS: error= 1.34D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -309.709660586419     IErMin= 2 ErrMin= 1.34D-03
 ErrMax= 1.34D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-04 BMatP= 5.63D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.34D-02
 Coeff-Com:  0.570D-01 0.943D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.562D-01 0.944D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=2.81D-04 MaxDP=9.37D-03 DE=-4.98D-03 OVMax= 1.15D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.21D-04    CP:  1.04D+00  1.03D+00
 E= -309.709385025143     Delta-E=        0.000275561276 Rises=F Damp=F
 DIIS: error= 1.94D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -309.709660586419     IErMin= 2 ErrMin= 1.34D-03
 ErrMax= 1.94D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.43D-04 BMatP= 2.56D-04
 IDIUse=3 WtCom= 1.85D-01 WtEn= 8.15D-01
 Coeff-Com: -0.111D-01 0.621D+00 0.390D+00
 Coeff-En:   0.000D+00 0.670D+00 0.330D+00
 Coeff:     -0.206D-02 0.661D+00 0.341D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.15D-04 MaxDP=5.94D-03 DE= 2.76D-04 OVMax= 7.37D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.80D-05    CP:  1.04D+00  1.04D+00  6.23D-01
 E= -309.709862933676     Delta-E=       -0.000477908533 Rises=F Damp=F
 DIIS: error= 2.14D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -309.709862933676     IErMin= 4 ErrMin= 2.14D-04
 ErrMax= 2.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-05 BMatP= 2.56D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.14D-03
 Coeff-Com: -0.943D-02 0.329D+00 0.186D+00 0.494D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.941D-02 0.328D+00 0.186D+00 0.496D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.32D-05 MaxDP=9.58D-04 DE=-4.78D-04 OVMax= 7.81D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.66D-05    CP:  1.04D+00  1.03D+00  5.50D-01  8.91D-01
 E= -309.709877090362     Delta-E=       -0.000014156686 Rises=F Damp=F
 DIIS: error= 3.66D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -309.709877090362     IErMin= 5 ErrMin= 3.66D-05
 ErrMax= 3.66D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.54D-07 BMatP= 1.38D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.174D-02 0.308D-01 0.233D-01 0.120D+00 0.828D+00
 Coeff:     -0.174D-02 0.308D-01 0.233D-01 0.120D+00 0.828D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=8.37D-06 MaxDP=2.32D-04 DE=-1.42D-05 OVMax= 1.26D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.02D-06    CP:  1.04D+00  1.04D+00  5.61D-01  9.08D-01  8.69D-01
 E= -309.709877322373     Delta-E=       -0.000000232011 Rises=F Damp=F
 DIIS: error= 1.13D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -309.709877322373     IErMin= 6 ErrMin= 1.13D-05
 ErrMax= 1.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-08 BMatP= 2.54D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.412D-03 0.307D-03 0.355D-02 0.318D-01 0.386D+00 0.579D+00
 Coeff:     -0.412D-03 0.307D-03 0.355D-02 0.318D-01 0.386D+00 0.579D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=2.04D-06 MaxDP=4.59D-05 DE=-2.32D-07 OVMax= 3.99D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.37D-06    CP:  1.04D+00  1.04D+00  5.62D-01  9.03D-01  8.98D-01
                    CP:  8.00D-01
 E= -309.709877357830     Delta-E=       -0.000000035458 Rises=F Damp=F
 DIIS: error= 2.11D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -309.709877357830     IErMin= 7 ErrMin= 2.11D-06
 ErrMax= 2.11D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-09 BMatP= 3.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.788D-04-0.158D-02 0.224D-03 0.574D-02 0.115D+00 0.258D+00
 Coeff-Com:  0.623D+00
 Coeff:     -0.788D-04-0.158D-02 0.224D-03 0.574D-02 0.115D+00 0.258D+00
 Coeff:      0.623D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=4.72D-07 MaxDP=1.08D-05 DE=-3.55D-08 OVMax= 8.90D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.70D-07    CP:  1.04D+00  1.04D+00  5.62D-01  9.04D-01  9.04D-01
                    CP:  7.85D-01  8.58D-01
 E= -309.709877359929     Delta-E=       -0.000000002099 Rises=F Damp=F
 DIIS: error= 2.95D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -309.709877359929     IErMin= 8 ErrMin= 2.95D-07
 ErrMax= 2.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.64D-11 BMatP= 2.10D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.602D-05-0.447D-03-0.138D-03-0.723D-03 0.548D-02 0.285D-01
 Coeff-Com:  0.146D+00 0.822D+00
 Coeff:      0.602D-05-0.447D-03-0.138D-03-0.723D-03 0.548D-02 0.285D-01
 Coeff:      0.146D+00 0.822D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=9.12D-08 MaxDP=1.59D-06 DE=-2.10D-09 OVMax= 1.61D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.20D-08    CP:  1.04D+00  1.04D+00  5.62D-01  9.04D-01  9.04D-01
                    CP:  7.92D-01  8.75D-01  8.88D-01
 E= -309.709877359945     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 1.67D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -309.709877359945     IErMin= 9 ErrMin= 1.67D-07
 ErrMax= 1.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.32D-12 BMatP= 3.64D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.495D-05-0.135D-03-0.492D-04-0.540D-03-0.149D-02 0.433D-02
 Coeff-Com:  0.469D-01 0.409D+00 0.542D+00
 Coeff:      0.495D-05-0.135D-03-0.492D-04-0.540D-03-0.149D-02 0.433D-02
 Coeff:      0.469D-01 0.409D+00 0.542D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=2.56D-08 MaxDP=8.31D-07 DE=-1.55D-11 OVMax= 6.04D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.76D-08    CP:  1.04D+00  1.04D+00  5.62D-01  9.04D-01  9.04D-01
                    CP:  7.92D-01  8.74D-01  9.03D-01  7.17D-01
 E= -309.709877359959     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 2.41D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -309.709877359959     IErMin=10 ErrMin= 2.41D-08
 ErrMax= 2.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-13 BMatP= 8.32D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D-05-0.260D-04-0.403D-05-0.161D-03-0.842D-03-0.137D-03
 Coeff-Com:  0.739D-02 0.948D-01 0.190D+00 0.709D+00
 Coeff:      0.155D-05-0.260D-04-0.403D-05-0.161D-03-0.842D-03-0.137D-03
 Coeff:      0.739D-02 0.948D-01 0.190D+00 0.709D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=6.15D-09 MaxDP=1.31D-07 DE=-1.39D-11 OVMax= 1.12D-07

 SCF Done:  E(RB3LYP) =  -309.709877360     A.U. after   10 cycles
            NFock= 10  Conv=0.61D-08     -V/T= 2.0113
 KE= 3.062370775862D+02 PE=-1.330456103569D+03 EE= 4.084335740149D+02
 Leave Link  502 at Fri Jul 16 13:10:56 2021, MaxMem=  5637144576 cpu:             386.7 elap:              48.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    27 NBE=    27 NFC=     0 NFV=     0
 NROrb=    223 NOA=    27 NOB=    27 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.30441503D+02

 Leave Link  801 at Fri Jul 16 13:10:57 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5137 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.82D-14 8.33D-09 XBig12= 1.00D+00 4.86D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.82D-14 8.33D-09 XBig12= 2.72D-01 1.43D-01.
     11 vectors produced by pass  2 Test12= 8.82D-14 8.33D-09 XBig12= 2.66D-02 3.14D-02.
     11 vectors produced by pass  3 Test12= 8.82D-14 8.33D-09 XBig12= 1.33D-03 6.87D-03.
     11 vectors produced by pass  4 Test12= 8.82D-14 8.33D-09 XBig12= 3.94D-05 1.04D-03.
     11 vectors produced by pass  5 Test12= 8.82D-14 8.33D-09 XBig12= 6.90D-07 1.47D-04.
     11 vectors produced by pass  6 Test12= 8.82D-14 8.33D-09 XBig12= 1.06D-08 1.53D-05.
     11 vectors produced by pass  7 Test12= 8.82D-14 8.33D-09 XBig12= 8.08D-11 2.18D-06.
      8 vectors produced by pass  8 Test12= 8.82D-14 8.33D-09 XBig12= 4.25D-13 1.12D-07.
      2 vectors produced by pass  9 Test12= 8.82D-14 8.33D-09 XBig12= 2.30D-15 9.72D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.36D-14
 Solved reduced A of dimension    98 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.874656D+02
      2  0.253096D-01  0.757022D+02
      3  0.320785D+00 -0.503874D+00  0.614597D+02
 Isotropic polarizability for W=    0.093368       74.88 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.333644D+02 -0.205557D+02 -0.443581D+00
      2  -0.174951D+02  0.192135D+02 -0.476786D+01
      3  -0.158693D+02  0.134213D+01  0.521145D+01
      4  -0.102157D+02  0.260890D+02  0.169429D+01
      5   0.370172D+01 -0.105967D+00  0.450489D+02
      6  -0.144112D+01 -0.387542D+01  0.967758D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.208671D+01 -0.790358D+00 -0.404349D+01
      2   0.369582D+00  0.312622D+00  0.203446D+02
      3   0.634177D+01 -0.130584D+02 -0.698610D+00
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.180026D+01  0.892447D+00 -0.833545D+01
      2  -0.414530D+01  0.313541D+01  0.609182D+02
      3   0.103400D+02 -0.435842D+02 -0.133515D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.643059D+00 -0.301412D+00 -0.324006D+00
      2  -0.301412D+00 -0.608807D+00  0.345228D+00
      3  -0.324006D+00  0.345228D+00 -0.122083D+01
 OR G Eigenvalues:    -1.4245    -0.9278    -0.1203  Iso=     0.8242
 Eigenvectors:
   (1)   0.269291  -0.289260   0.918592
   (2)   0.728158   0.685405   0.002367
   (3)  -0.630292   0.668242   0.395201
 w=    0.093368 a.u., Optical Rotation Beta=      0.8242 au.
 Molar Mass =     98.1444 grams/mole, [Alpha] ( 4880.0 A) =      473.36 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.59D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.82D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.47D-14 2.78D-09 XBig12= 1.00D+00 4.95D-01.
     30 vectors produced by pass  1 Test12= 1.47D-14 2.78D-09 XBig12= 2.71D-02 7.08D-02.
     30 vectors produced by pass  2 Test12= 1.47D-14 2.78D-09 XBig12= 6.68D-04 4.35D-03.
     30 vectors produced by pass  3 Test12= 1.47D-14 2.78D-09 XBig12= 5.97D-06 4.85D-04.
     30 vectors produced by pass  4 Test12= 1.47D-14 2.78D-09 XBig12= 3.36D-08 2.30D-05.
     30 vectors produced by pass  5 Test12= 1.47D-14 2.78D-09 XBig12= 7.34D-11 7.83D-07.
     25 vectors produced by pass  6 Test12= 1.47D-14 2.78D-09 XBig12= 9.42D-14 3.47D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   205 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 9.28D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 9.28D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.61D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.874656D+02  0.253096D-01  0.320785D+00
      2   0.253096D-01  0.757022D+02 -0.503874D+00
      3   0.320785D+00 -0.503874D+00  0.614597D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.208671D+01 -0.790358D+00 -0.404349D+01
      2   0.369582D+00  0.312622D+00  0.203446D+02
      3   0.634177D+01 -0.130584D+02 -0.698610D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.333644D+02 -0.205557D+02 -0.443581D+00
      2  -0.174951D+02  0.192135D+02 -0.476786D+01
      3  -0.158693D+02  0.134213D+01  0.521145D+01
      4  -0.102157D+02  0.260890D+02  0.169429D+01
      5   0.370172D+01 -0.105967D+00  0.450489D+02
      6  -0.144112D+01 -0.387542D+01  0.967758D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.252377D+01 -0.123516D+01  0.919616D+00 -0.193036D+00 -0.441085D+01
      2  -0.123516D+01 -0.346554D+01  0.821177D-01 -0.441085D+01 -0.743727D+00
      3   0.919616D+00  0.821177D-01 -0.179234D+01  0.215128D+00  0.233254D+01
                 6             7             8             9            10 
      1   0.215128D+00  0.160733D+01  0.517292D+00 -0.222287D+01 -0.997247D+00
      2   0.233254D+01  0.517292D+00  0.327236D+01 -0.105641D+01  0.240900D+01
      3  -0.590858D+00 -0.222287D+01 -0.105641D+01 -0.676683D+01 -0.106519D+01
                11            12            13            14            15 
      1   0.240900D+01 -0.106519D+01  0.218091D+01  0.299535D+01  0.293378D+00
      2   0.358068D+01  0.278110D+00  0.299535D+01 -0.293944D+01 -0.145278D+01
      3   0.278110D+00  0.571343D-01  0.293378D+00 -0.145278D+01 -0.906274D+00
                16            17            18            19            20 
      1  -0.211820D+01  0.323465D+00  0.703728D+00 -0.133553D+01 -0.191774D+01
      2   0.323465D+00 -0.174330D+01 -0.970904D+00 -0.191774D+01  0.469221D+01
      3   0.703728D+00 -0.970904D+00  0.100795D+02 -0.111962D+01  0.562764D+00
                21            22            23            24            25 
      1  -0.111962D+01 -0.182352D+01  0.247947D+01  0.751998D+00 -0.114146D+01
      2   0.562764D+00  0.247947D+01  0.128539D+01 -0.733775D+00  0.170556D+01
      3   0.236267D+01  0.751998D+00 -0.733775D+00 -0.229149D+01  0.264931D+01
                26            27            28            29            30 
      1   0.170556D+01  0.264931D+01  0.496761D+01  0.523347D+01  0.537261D-01
      2   0.238483D-01 -0.341824D+01  0.523347D+01 -0.336345D+01 -0.311326D+00
      3  -0.341824D+01  0.359167D+01  0.537261D-01 -0.311326D+00 -0.147167D+00
                31            32            33            34            35 
      1   0.361291D+01  0.119767D+00 -0.551620D+00  0.769878D+00 -0.966837D+00
      2   0.119767D+00 -0.311160D+01 -0.284985D+00 -0.966837D+00 -0.468042D+00
      3  -0.551620D+00 -0.284985D+00  0.814066D-01 -0.206015D+00  0.642186D-01
                36            37            38            39            40 
      1  -0.206015D+00  0.412709D+00 -0.341479D+01  0.426992D-01 -0.237429D+01
      2   0.642186D-01 -0.341479D+01  0.135649D+01  0.567699D+00 -0.579216D+00
      3  -0.550284D-02  0.426992D-01  0.567699D+00 -0.269779D+00  0.462448D+00
                41            42            43            44            45 
      1  -0.579216D+00  0.462448D+00 -0.118050D+01  0.140649D+01 -0.867030D+00
      2   0.568656D+01  0.166446D+01  0.140649D+01  0.250705D+01  0.356659D+01
      3   0.166446D+01  0.292841D+01 -0.867030D+00  0.356659D+01 -0.433710D+01
                46            47            48            49            50 
      1  -0.854244D+00  0.118512D+01 -0.135016D+01  0.809998D+00 -0.868666D+00
      2   0.118512D+01 -0.161422D+01  0.658821D+00 -0.868666D+00  0.221564D+01
      3  -0.135016D+01  0.658821D+00 -0.128601D+01  0.371413D+00 -0.164139D+01
                51            52            53            54            55 
      1   0.371413D+00 -0.224239D+01  0.637334D+00 -0.202612D+01 -0.391170D+01
      2  -0.164139D+01  0.637334D+00 -0.316605D+01  0.324505D+01  0.264409D+01
      3   0.182572D+01 -0.202612D+01  0.324505D+01 -0.640269D+01  0.172870D+01
                56            57            58            59            60 
      1   0.264409D+01  0.172870D+01  0.211065D+01 -0.220030D+01 -0.803641D+00
      2  -0.337892D+01 -0.108847D+01 -0.220030D+01  0.410540D+01  0.167864D+01
      3  -0.108847D+01 -0.149243D+01 -0.803641D+00  0.167864D+01  0.155423D+01
                61            62            63            64            65 
      1   0.271024D+01 -0.175699D+01 -0.192920D+01 -0.152426D+02 -0.454875D+01
      2  -0.175699D+01  0.267276D+01  0.251392D+01 -0.454875D+01 -0.164617D+01
      3  -0.192920D+01  0.251392D+01  0.219221D+01  0.360801D+00  0.537594D-01
                66            67            68            69            70 
      1   0.360801D+00 -0.350920D+01 -0.424161D+01  0.115154D+00 -0.732223D-01
      2   0.537594D-01 -0.424161D+01 -0.274656D+01  0.130848D+00  0.286216D+00
      3  -0.184983D+01  0.115154D+00  0.130848D+00 -0.766289D+00 -0.367064D+01
                71            72            73            74            75 
      1   0.286216D+00 -0.367064D+01 -0.277877D+00 -0.832970D+00 -0.705411D+00
      2   0.205431D+00 -0.140639D+01 -0.832970D+00 -0.102706D+01 -0.315457D+00
      3  -0.140639D+01  0.315785D+00 -0.705411D+00 -0.315457D+00 -0.766173D-01
                76            77            78            79            80 
      1  -0.145170D+01 -0.672983D-01 -0.529151D-01 -0.818952D+00 -0.300088D+00
      2  -0.672983D-01 -0.787617D+01 -0.243334D+01 -0.300088D+00 -0.394898D+01
      3  -0.529151D-01 -0.243334D+01 -0.195158D+01  0.189773D+00 -0.269342D+01
                81            82            83            84            85 
      1   0.189773D+00  0.990112D+00 -0.125001D+00  0.108752D+01 -0.172531D+00
      2  -0.269342D+01 -0.125001D+00  0.100264D+00 -0.275446D+00  0.605706D+00
      3  -0.179809D+01  0.108752D+01 -0.275446D+00  0.782473D+00 -0.305143D+00
                86            87            88            89            90 
      1   0.605706D+00 -0.305143D+00  0.272930D+01 -0.584231D+00  0.870723D+00
      2  -0.255737D+01  0.156360D+01 -0.584231D+00  0.263634D+01 -0.311461D+01
      3   0.156360D+01 -0.165733D+01  0.870723D+00 -0.311461D+01  0.627613D+01
                91            92            93            94            95 
      1   0.261298D+01  0.257893D+01 -0.838510D+00  0.230161D+01  0.297688D+01
      2   0.257893D+01  0.339237D+01 -0.526007D+00  0.297688D+01  0.687897D+01
      3  -0.838510D+00 -0.526007D+00  0.867507D+00 -0.532580D+00 -0.156664D+01
                96            97            98            99           100 
      1  -0.532580D+00 -0.161586D+01 -0.106615D+01  0.113402D+01  0.416716D+00
      2  -0.156664D+01 -0.106615D+01 -0.276265D+01  0.167514D+01  0.325959D+00
      3   0.120530D+01  0.113402D+01  0.167514D+01 -0.575558D+00  0.123034D+01
               101           102           103           104           105 
      1   0.325959D+00  0.123034D+01  0.106972D+00  0.840805D+00  0.109772D+00
      2   0.682286D+00  0.405965D+00  0.840805D+00  0.747580D+00  0.889924D+00
      3   0.405965D+00  0.122099D+01  0.109772D+00  0.889924D+00  0.246456D+00
               106           107           108           109           110 
      1   0.213081D+01  0.797307D-01  0.168160D+01  0.179565D+00 -0.318749D+01
      2   0.797307D-01  0.154484D+01  0.193322D+01 -0.318749D+01 -0.372537D+01
      3   0.168160D+01  0.193322D+01  0.778193D+01  0.217448D+01 -0.163198D+00
               111           112           113           114           115 
      1   0.217448D+01 -0.362942D+01 -0.496098D+01 -0.150920D+00  0.274496D+01
      2  -0.163198D+00 -0.496098D+01  0.318901D+01  0.276682D+01 -0.355927D+00
      3  -0.523219D+00 -0.150920D+00  0.276682D+01  0.973157D+00 -0.144856D+01
               116           117           118           119           120 
      1  -0.355927D+00 -0.144856D+01  0.804026D+00 -0.288497D+00 -0.123975D+01
      2   0.276365D+01  0.119394D+01 -0.288497D+00 -0.232695D+00 -0.211204D-01
      3   0.119394D+01 -0.701590D+01 -0.123975D+01 -0.211204D-01  0.325354D+00
               121           122           123           124           125 
      1  -0.414521D+00 -0.261193D+00  0.494870D-02 -0.177394D+01 -0.248245D-01
      2  -0.261193D+00  0.472221D+00 -0.941025D+00 -0.248245D-01 -0.127415D+01
      3   0.494870D-02 -0.941025D+00  0.526450D+00  0.702928D+00  0.259905D+00
               126           127           128           129           130 
      1   0.702928D+00  0.988736D-01  0.198470D+00  0.799555D+00  0.189769D+00
      2   0.259905D+00  0.198470D+00  0.234355D+00 -0.127897D-01  0.827135D+00
      3  -0.100576D+02  0.799555D+00 -0.127897D-01  0.183795D+00 -0.979395D-01
               131           132           133           134           135 
      1   0.827135D+00 -0.979395D-01  0.251868D+01 -0.394372D+00  0.192803D+01
      2  -0.684852D+00  0.733796D+00 -0.394372D+00  0.115504D+01 -0.874868D+00
      3   0.733796D+00 -0.513935D+00  0.192803D+01 -0.874868D+00  0.783850D+01
               136           137           138           139           140 
      1   0.717079D+01  0.268276D+01 -0.117858D+01  0.538793D+01  0.307917D+01
      2   0.268276D+01  0.225456D+01 -0.442787D+00  0.307917D+01  0.279274D+01
      3  -0.117858D+01 -0.442787D+00  0.106616D+01 -0.560647D+00 -0.900510D+00
               141           142           143           144           145 
      1  -0.560647D+00 -0.229676D+01 -0.535951D+00  0.140929D+01  0.244202D+01
      2  -0.900510D+00 -0.535951D+00 -0.116424D+01  0.611619D+00 -0.170740D+01
      3   0.941060D+00  0.140929D+01  0.611619D+00 -0.348945D+00 -0.900217D+00
               146           147           148           149           150 
      1  -0.170740D+01 -0.900217D+00 -0.313254D+01  0.366583D+01  0.731165D+00
      2   0.216020D+01  0.547365D+00  0.366583D+01 -0.671380D+01 -0.180618D+01
      3   0.547365D+00  0.571299D+00  0.731165D+00 -0.180618D+01 -0.160443D+01
               151           152           153 
      1  -0.194991D+01  0.102928D+01  0.110103D+01
      2   0.102928D+01 -0.225391D+01 -0.152878D+01
      3   0.110103D+01 -0.152878D+01 -0.767562D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.213981D+01 -0.107045D+01  0.205051D+01  0.623941D-01 -0.575993D+01
      2   0.141803D+01  0.260061D+01  0.589470D+00  0.294239D+01  0.340052D+01
      3   0.108088D+02 -0.448794D+00  0.133309D+01  0.690013D+01 -0.531540D+01
                 6             7             8             9            10 
      1  -0.901199D+00  0.145904D+01  0.614245D+01  0.817924D+01  0.917166D+00
      2  -0.907559D+00 -0.629864D+01 -0.302408D+01 -0.390350D+01 -0.420071D+01
      3  -0.143502D+01  0.110728D+01 -0.277005D+01 -0.249552D+01 -0.616104D+01
                11            12            13            14            15 
      1  -0.427878D+00 -0.273183D+00 -0.220292D+01  0.640561D+00 -0.213031D+01
      2   0.118106D+01  0.255201D+01  0.196184D+00 -0.140177D+01 -0.891651D+00
      3  -0.931518D+01 -0.192925D+00 -0.248505D+01  0.369755D+01  0.280344D+01
                16            17            18            19            20 
      1   0.872051D+00  0.453536D+01  0.864024D+00  0.478396D+01 -0.246222D+01
      2  -0.557137D+01  0.682613D+00  0.106808D+02  0.240250D+01 -0.212482D+01
      3  -0.127445D+01  0.284901D+01  0.148397D+01 -0.115031D+02  0.337601D+01
                21            22            23            24            25 
      1  -0.494144D+01 -0.208350D+01  0.260570D+01 -0.116962D+01 -0.193232D+01
      2  -0.203585D+01 -0.247402D+01  0.174626D+01  0.442597D+01 -0.701418D+01
      3  -0.173921D+01  0.705476D+01  0.389082D+01  0.987040D+00 -0.157387D+01
                26            27            28            29            30 
      1   0.106564D+02 -0.544538D+01 -0.649053D+01 -0.397564D+00  0.236389D+01
      2   0.649085D+01 -0.461901D+01 -0.225525D+01 -0.169694D+01 -0.899909D+01
      3   0.272778D+01 -0.797824D+00  0.498913D+01 -0.309980D+01  0.148717D+00
                31            32            33            34            35 
      1  -0.253464D+01 -0.586803D+00  0.407848D+01 -0.470361D+01  0.222664D+02
      2  -0.837075D+00 -0.741638D+00 -0.240578D+01 -0.150481D+02  0.391457D+01
      3   0.207671D+01 -0.127032D+01 -0.227897D+00 -0.500565D+00 -0.988199D+00
                36            37            38            39            40 
      1  -0.387987D+00  0.974569D+00  0.206756D+01  0.111090D+01  0.252625D+01
      2   0.651668D+00 -0.777324D-01  0.396206D+00  0.408742D+01 -0.134397D+00
      3  -0.252287D+00 -0.332443D+01  0.260036D+01 -0.493236D-01  0.886343D+01
                41            42            43            44            45 
      1   0.722745D+01  0.191400D+01 -0.492233D+01  0.827998D+01 -0.625098D+01
      2   0.348832D+00 -0.203330D+01 -0.487032D+01 -0.669696D+00 -0.201719D+00
      3   0.580339D+01 -0.189603D+01  0.156039D+01 -0.343619D+01  0.205501D+01
                46            47            48            49            50 
      1   0.110815D+01 -0.269810D+01  0.298317D+01 -0.217243D+01  0.680892D+00
      2   0.172734D+01 -0.899218D+00  0.292711D+01 -0.508753D+00  0.186000D+01
      3   0.117208D+01 -0.134247D+01 -0.917322D+00  0.188413D+01  0.631659D+00
                51            52            53            54            55 
      1  -0.329381D+01  0.322125D+01 -0.543126D+01  0.108764D+02 -0.253913D+01
      2  -0.239551D+01  0.665108D+00 -0.532419D+01  0.888465D+01 -0.211777D+01
      3  -0.102273D+01 -0.308516D+01 -0.319563D+01  0.749095D+00 -0.265300D+01
                56            57            58            59            60 
      1   0.469918D+01  0.340850D+01  0.280557D+01 -0.329422D+01 -0.399170D+01
      2   0.273744D+01  0.365226D+01  0.127846D+01 -0.327322D+01 -0.291100D+01
      3  -0.263437D+01  0.103372D+01  0.291473D+01  0.122834D+01  0.327084D+00
                61            62            63            64            65 
      1   0.384258D+01 -0.417275D+01 -0.461908D+01  0.352065D+01 -0.215691D+00
      2   0.159921D+01 -0.422706D+01 -0.374855D+01  0.652446D+00  0.156398D+00
      3   0.291466D+01  0.168901D+01  0.112994D+00  0.186861D+01 -0.138454D+02
                66            67            68            69            70 
      1  -0.345480D+01  0.825984D+00  0.790990D+00 -0.366770D+01  0.187201D+01
      2   0.136163D+02  0.873542D+00  0.470922D+00  0.456518D+01  0.507353D+01
      3   0.308782D+00 -0.170261D+01 -0.739425D+01  0.339883D+00  0.136771D+01
                71            72            73            74            75 
      1  -0.490972D+01  0.552158D+00  0.875082D+00 -0.999023D+00 -0.379681D+00
      2  -0.430703D+00 -0.654922D+00  0.114722D+01 -0.513715D+00  0.561476D+00
      3   0.118252D+01 -0.843136D+00  0.589094D+00 -0.160964D+01  0.420603D+00
                76            77            78            79            80 
      1   0.163976D+01 -0.596452D+01 -0.552977D+01  0.739592D+00 -0.428237D+01
      2   0.613394D-01 -0.689254D+00  0.217453D+00 -0.158154D+01 -0.196109D+00
      3   0.446719D+01 -0.374581D+00  0.116883D+00  0.244192D+01  0.317588D+00
                81            82            83            84            85 
      1  -0.391240D+01 -0.505736D+00  0.240538D+00  0.365052D+00 -0.983140D-01
      2   0.528605D-01 -0.236535D+01  0.194322D+00  0.581670D+00  0.750234D-01
      3  -0.416804D+00 -0.172864D+01 -0.175244D+01 -0.645410D+00  0.115744D+01
                86            87            88            89            90 
      1   0.225553D+01 -0.401613D+01  0.392019D+01 -0.467995D+01  0.108164D+02
      2  -0.375436D-01  0.310968D+00 -0.179962D+01 -0.482593D+00 -0.395021D+00
      3  -0.985225D+00  0.633568D+00 -0.426810D+01  0.115386D+01 -0.166634D+01
                91            92            93            94            95 
      1   0.120633D+01  0.857826D+00 -0.216739D+01  0.109178D+01  0.263036D+01
      2  -0.110708D+01 -0.129157D+01  0.183718D+01 -0.106085D+01 -0.245643D+01
      3   0.307756D+01 -0.389791D+00 -0.976003D+00  0.456886D+01 -0.102375D+01
                96            97            98            99           100 
      1  -0.397215D+01 -0.158926D+01 -0.131121D+01  0.154619D+01 -0.134326D+01
      2   0.203998D+01  0.248312D+00  0.202037D+01 -0.127093D+01  0.243797D-01
      3   0.189449D+00 -0.272631D+01  0.138099D+01  0.628633D+00  0.115953D+00
               101           102           103           104           105 
      1   0.843628D+00 -0.189808D+01 -0.394092D-01 -0.982893D+00 -0.146653D+01
      2  -0.666394D-02  0.152792D+01 -0.759437D-01 -0.150774D+00  0.494056D-01
      3  -0.161115D+01  0.155636D+01  0.234792D+00  0.102997D+01 -0.352271D+00
               106           107           108           109           110 
      1  -0.259599D+01  0.572175D+00 -0.113983D+02 -0.401995D+00 -0.119825D+01
      2  -0.251911D+01  0.140280D+01  0.474428D+01  0.902796D+01 -0.392042D+00
      3   0.372067D+01 -0.155480D+01  0.153821D+01  0.999357D+01  0.112211D+02
               111           112           113           114           115 
      1  -0.147810D+00 -0.145836D+01  0.240120D+01 -0.415468D+00 -0.199747D+01
      2  -0.591549D+00 -0.224429D+00  0.860128D+01  0.246321D+01 -0.819529D+01
      3  -0.834871D+00  0.213428D+02 -0.744442D+01 -0.810289D+01 -0.263013D+00
               116           117           118           119           120 
      1   0.305190D+01 -0.334880D+01  0.109313D+00  0.343786D+00  0.301069D+00
      2   0.367187D+01 -0.181360D+02 -0.592025D+00 -0.472420D+00  0.108476D+01
      3  -0.836736D+01 -0.263329D+01  0.102088D+01 -0.411047D+00  0.177879D+00
               121           122           123           124           125 
      1   0.708774D+00 -0.673394D+00 -0.248748D+00 -0.194003D+00  0.342451D+01
      2   0.213697D+00 -0.134943D+01  0.424154D+00 -0.356558D+01  0.445990D+00
      3   0.230525D+01 -0.966105D+00  0.144299D+01 -0.949623D-01  0.188162D+01
               126           127           128           129           130 
      1  -0.993809D+00  0.597691D+00 -0.448007D-01  0.293137D+00  0.328900D-01
      2  -0.107395D+02  0.229625D+01 -0.214205D+00  0.192798D+01 -0.111451D+00
      3  -0.435978D+00 -0.436955D+00 -0.147338D+01 -0.278864D+00 -0.103184D+01
               131           132           133           134           135 
      1   0.766665D-01 -0.100649D+01  0.776182D+00  0.281602D+01  0.417201D+01
      2   0.155549D+01 -0.162146D+01  0.104889D+01 -0.216835D+01  0.218218D+02
      3   0.125545D+01 -0.158511D+01 -0.489100D+00 -0.339753D+01  0.160241D+01
               136           137           138           139           140 
      1   0.119634D+00 -0.514573D-01 -0.585241D+00  0.188869D-01 -0.427950D+00
      2  -0.339689D+01 -0.158497D+01  0.486057D+01 -0.173895D+01 -0.279977D+01
      3  -0.108795D+02 -0.103917D+02  0.199024D+01 -0.901843D+01 -0.106360D+02
               141           142           143           144           145 
      1  -0.126035D+01  0.452295D+00  0.112022D+01  0.157464D+00 -0.792076D+00
      2   0.413981D+01  0.274961D+01  0.180378D+01 -0.115560D+01 -0.242285D+01
      3   0.301742D+01  0.224666D+01  0.413307D+01 -0.208981D+01  0.303836D+01
               146           147           148           149           150 
      1   0.512915D+00  0.971396D+00  0.716833D+00 -0.136759D+01 -0.365202D+01
      2   0.167848D+01  0.254989D+01  0.152525D+01 -0.508348D+01 -0.546987D+01
      3  -0.672297D+01 -0.108346D+01 -0.580075D+01  0.178852D+02  0.492432D+01
               151           152           153 
      1   0.792416D+00 -0.227475D+00 -0.105917D+01
      2   0.134752D+01 -0.392231D+01 -0.217137D+01
      3  -0.108377D+01  0.639432D+01  0.346066D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.300830D+01  0.648515D+01  0.208639D+01  0.388664D+01 -0.382613D+01
      2  -0.258103D+01 -0.135343D+02  0.184951D+01 -0.116728D+02 -0.551226D+01
      3  -0.427276D+00  0.704917D+01 -0.393590D+01  0.778618D+01  0.933838D+01
      4  -0.188402D+00 -0.110691D+02  0.193209D+01 -0.109485D+02 -0.117305D+02
      5   0.288113D+01  0.352995D+01 -0.294573D+01  0.318031D+01  0.440146D+01
      6   0.369722D+01  0.205988D+01 -0.536472D+01  0.302493D+01  0.117021D+02
                 6             7             8             9            10 
      1  -0.329724D+01  0.281158D+01 -0.282220D+01  0.622738D+01 -0.119310D+02
      2   0.845874D+01  0.365180D+01  0.106815D+02  0.217533D+01  0.403496D+01
      3  -0.516149D+01 -0.646338D+01 -0.785935D+01 -0.840271D+01  0.789607D+01
      4   0.456971D+01  0.205981D+01  0.812988D+01 -0.994470D+01  0.659803D+01
      5  -0.226784D+01 -0.326431D+01 -0.504115D+01 -0.106032D+02 -0.721620D+01
      6  -0.158379D+01 -0.708132D+01 -0.439978D+01 -0.157561D+02 -0.369650D+00
                11            12            13            14            15 
      1   0.575692D+01 -0.351107D+01  0.949972D+01  0.112409D+02  0.156649D+01
      2  -0.438601D+00  0.192110D+01 -0.351514D+01 -0.533941D+01 -0.210606D+01
      3  -0.531832D+01  0.158997D+01 -0.598458D+01 -0.590148D+01  0.539575D+00
      4   0.208420D+01  0.127387D+01  0.819692D+01 -0.470918D+01 -0.204021D+01
      5   0.179847D+01 -0.130407D+01  0.923956D+00 -0.240527D+01 -0.166017D+01
      6  -0.377801D+00  0.779206D+00 -0.140970D+01 -0.608983D+00  0.112719D+01
                16            17            18            19            20 
      1  -0.867570D+01  0.215030D+01  0.908103D+01  0.305384D+00 -0.476548D+01
      2   0.234291D+01 -0.291585D+01  0.993740D+01 -0.212969D+01  0.904751D+01
      3   0.633279D+01  0.765542D+00 -0.190184D+02  0.182430D+01 -0.428203D+01
      4   0.668175D+00 -0.285365D+01 -0.136233D+01  0.512691D+01 -0.145560D+02
      5   0.332712D+01 -0.131875D+01  0.243570D+02  0.333066D+01 -0.532487D+01
      6  -0.320486D+00  0.452851D+01 -0.553759D+00 -0.512068D+01  0.367933D+01
                21            22            23            24            25 
      1   0.222002D+01  0.411513D+01 -0.488508D+01 -0.136092D+01  0.143007D+00
      2   0.229581D+01  0.507508D+00  0.104161D+02 -0.279901D+01  0.323606D+01
      3  -0.451583D+01 -0.462264D+01 -0.553099D+01  0.415992D+01 -0.337906D+01
      4  -0.389367D+01 -0.223817D+01  0.929878D+01  0.190928D+01 -0.611613D+01
      5  -0.718357D+01 -0.491432D+01  0.246510D+01  0.824041D+01 -0.772036D+01
      6   0.884706D+01  0.403459D+01 -0.444928D+01 -0.579583D+01  0.965440D+01
                26            27            28            29            30 
      1  -0.571999D+01  0.789761D+01 -0.447237D+02 -0.824240D+01 -0.282162D+00
      2  -0.281506D+01 -0.424435D+01  0.243063D+02 -0.241851D+00 -0.222258D+00
      3   0.853506D+01 -0.365325D+01  0.204174D+02  0.848425D+01  0.504420D+00
      4  -0.696544D+00  0.176089D+02 -0.250742D+02 -0.149641D+02  0.118314D+01
      5   0.127597D+02 -0.710877D+01  0.197530D+01  0.140421D+01 -0.125360D+02
      6  -0.160401D+02  0.123873D+02 -0.130196D+01 -0.554128D+00 -0.422333D+01
                31            32            33            34            35 
      1  -0.188369D+02 -0.930377D+00  0.165533D+00  0.783758D+00  0.797273D+00
      2   0.121545D+02 -0.379221D+01 -0.563741D+00 -0.108641D+01  0.812474D+00
      3   0.668236D+01  0.472258D+01  0.398208D+00  0.302650D+00 -0.160975D+01
      4  -0.619866D+01 -0.978399D+00  0.186253D+00  0.211347D+01  0.111218D+01
      5   0.216633D+01 -0.124526D+00 -0.382452D+01  0.344909D+01 -0.109529D+01
      6  -0.149167D+01  0.200083D+01 -0.291183D+01 -0.992480D+00  0.470751D+01
                36            37            38            39            40 
      1  -0.935421D+01  0.322997D+01 -0.412833D+00  0.265021D+01 -0.117443D+02
      2  -0.175887D+01  0.192183D+01 -0.278537D+01 -0.230706D+01  0.578597D+01
      3   0.111131D+02 -0.515180D+01  0.319820D+01 -0.343149D+00  0.595829D+01
      4  -0.340318D+01 -0.240548D+00  0.464034D+01 -0.312581D+00 -0.142918D+01
      5   0.183890D+01  0.350803D+00 -0.734066D+00  0.230281D+01 -0.273632D+00
      6  -0.726488D+00  0.192446D+01 -0.282789D+01  0.420785D+00 -0.153309D+01
                41            42            43            44            45 
      1   0.953854D+01  0.126686D+01  0.102444D+02 -0.110164D+01  0.145996D+02
      2  -0.113876D+02 -0.615327D+01 -0.516195D+01 -0.557637D+01 -0.919384D+01
      3   0.184904D+01  0.488641D+01 -0.508247D+01  0.667801D+01 -0.540580D+01
      4  -0.518417D+01 -0.149838D+01  0.253806D+01 -0.196100D+01  0.332845D+01
      5  -0.150748D+01 -0.145041D+01 -0.261754D+01  0.140151D+01 -0.419938D+01
      6  -0.118174D+02 -0.927157D+01  0.546520D+01 -0.159205D+02  0.110032D+02
                46            47            48            49            50 
      1   0.633528D+00  0.355614D+00  0.139008D+01  0.913080D+00 -0.743144D+01
      2  -0.925776D+00 -0.174709D+01 -0.191364D+01 -0.236000D+01  0.779946D+01
      3   0.292248D+00  0.139148D+01  0.523554D+00  0.144692D+01 -0.368020D+00
      4  -0.636938D+01  0.954117D+01 -0.559404D+01  0.526104D+01 -0.847274D+01
      5   0.592467D+01 -0.328987D+01  0.825230D+01 -0.100675D+01  0.424521D+01
      6  -0.484834D+01  0.321142D+01 -0.469763D+01  0.306724D+01 -0.814818D+01
                51            52            53            54            55 
      1   0.529531D+01  0.203689D+01  0.967909D+01 -0.127038D+02  0.782585D+01
      2  -0.456599D+01 -0.325897D+01 -0.548731D+01 -0.194910D+01  0.425482D+00
      3  -0.729321D+00  0.122209D+01 -0.419177D+01  0.146529D+02 -0.825134D+01
      4   0.536863D+01 -0.734613D+01  0.103505D+02 -0.133381D+02 -0.174125D+02
      5  -0.429171D+01  0.913118D+01 -0.974888D+01  0.175159D+02 -0.893737D+01
      6   0.103490D+02 -0.738521D+01  0.167780D+02 -0.234936D+02  0.705146D+01
                56            57            58            59            60 
      1  -0.571749D+00 -0.235957D+01  0.934110D+00 -0.748003D+01 -0.246968D+01
      2  -0.613112D+01 -0.863880D-01 -0.645185D+01  0.152334D+02  0.531693D+01
      3   0.670286D+01  0.244596D+01  0.551774D+01 -0.775339D+01 -0.284725D+01
      4   0.194536D+02  0.786205D+01  0.131165D+02 -0.178816D+02 -0.699162D+01
      5   0.607558D+01  0.798772D+01  0.428697D+01 -0.678194D+01 -0.550020D+01
      6  -0.637061D+01 -0.621588D+01 -0.524502D+01  0.970164D+01  0.874446D+01
                61            62            63            64            65 
      1  -0.242479D+01 -0.354139D+01 -0.431940D+01  0.892501D+02  0.166679D+02
      2   0.156588D-01  0.687753D+01  0.220586D+01 -0.485488D+02 -0.450652D+01
      3   0.240913D+01 -0.333614D+01  0.211353D+01 -0.407013D+02 -0.121614D+02
      4   0.107622D+02 -0.111315D+02 -0.112527D+02  0.380823D+02  0.280414D+02
      5   0.930232D+01 -0.931496D+01 -0.918701D+01 -0.328051D+01 -0.114984D+01
      6  -0.796103D+01  0.131138D+02  0.988741D+01  0.154376D+01  0.443429D+00
                66            67            68            69            70 
      1  -0.134063D+01  0.183431D+02  0.105737D+02  0.627803D-01 -0.199099D+01
      2   0.136211D+01 -0.634903D+01  0.768192D+00 -0.116236D+00  0.214030D+01
      3  -0.214767D-01 -0.119941D+02 -0.113419D+02  0.534560D-01 -0.149304D+00
      4  -0.564100D+00  0.288594D+02  0.204801D+02 -0.305132D+00 -0.680370D+00
      5   0.228884D+02 -0.117092D+01 -0.624849D+00  0.723260D+01  0.247309D+02
      6   0.580727D+01  0.639500D+00 -0.846602D+00  0.651061D+01  0.559809D+01
                71            72            73            74            75 
      1  -0.404349D-01  0.121553D+02  0.429360D+00 -0.182389D+01 -0.808699D+00
      2  -0.121197D+00 -0.105325D+02  0.137191D+01  0.312272D+01  0.703674D+00
      3   0.161632D+00 -0.162282D+01 -0.180127D+01 -0.129883D+01  0.105025D+00
      4  -0.344941D+00  0.882062D+01  0.162200D+01  0.869888D+01  0.269225D+01
      5   0.731013D+01 -0.247020D+01  0.730613D+00  0.173345D+01  0.243573D+01
      6   0.732381D+01  0.221005D-01  0.261582D+01  0.148901D+01  0.524897D+00
                76            77            78            79            80 
      1   0.219911D+01 -0.243084D+02 -0.763130D+01 -0.126634D+01 -0.102329D+02
      2  -0.975640D+00  0.346705D+02  0.973298D+01  0.739198D+00  0.117355D+02
      3  -0.122347D+01 -0.103622D+02 -0.210168D+01  0.527138D+00 -0.150254D+01
      4   0.558788D+01  0.175618D+01  0.901118D+00  0.339878D+01  0.121615D+01
      5   0.135585D+01  0.128610D+01  0.663101D+00  0.220828D+01  0.776057D+00
      6   0.104199D+00  0.161590D+02  0.113207D+02 -0.944553D+00  0.150669D+02
                81            82            83            84            85 
      1  -0.101459D+02 -0.525546D+00 -0.204753D+00 -0.794683D+00  0.263726D+01
      2   0.689176D+01 -0.134718D+01 -0.171938D+00  0.263187D+00 -0.249555D+01
      3   0.325415D+01  0.187273D+01  0.376691D+00  0.531496D+00 -0.141706D+00
      4   0.103219D+00 -0.284984D+01  0.334330D+01 -0.359636D+01  0.229568D+01
      5   0.117114D+01  0.713122D+00 -0.206964D+01  0.460799D+01 -0.752026D+00
      6   0.100811D+02 -0.342122D+01  0.863279D+00 -0.163927D+01  0.116011D+01
                86            87            88            89            90 
      1  -0.107346D+02  0.590723D+01 -0.308867D+01  0.110551D+02 -0.183983D+02
      2   0.102224D+02 -0.432799D+01  0.299014D+00 -0.603051D+01  0.169040D+01
      3   0.512218D+00 -0.157924D+01  0.278965D+01 -0.502461D+01  0.167079D+02
      4  -0.173079D+01  0.102629D+01 -0.545648D+01  0.134769D+01 -0.233707D+01
      5   0.109775D+01 -0.149350D+00  0.436915D+01 -0.135193D+01  0.211264D+01
      6  -0.708410D+01  0.975935D+01 -0.437520D+01  0.149459D+02 -0.209703D+02
                91            92            93            94            95 
      1   0.132756D+01 -0.299360D+01 -0.437156D+00 -0.322951D+01 -0.152767D+02
      2   0.624197D+01  0.113189D+02 -0.159509D+01  0.108548D+02  0.327285D+02
      3  -0.756953D+01 -0.832533D+01  0.203224D+01 -0.762528D+01 -0.174519D+02
      4   0.132388D+02  0.169222D+02 -0.394575D+01  0.156832D+02  0.220965D+02
      5  -0.350537D+01 -0.244906D+01  0.339185D+01 -0.228054D+01 -0.409333D+01
      6  -0.396423D+01 -0.348382D+01  0.384780D+01 -0.331887D+01 -0.931756D+01
                96            97            98            99           100 
      1   0.326185D+01 -0.550344D+00  0.570731D+01 -0.440377D+01  0.363250D+00
      2  -0.667341D+01 -0.201644D+01 -0.100942D+02  0.393835D+01 -0.245224D+01
      3   0.341156D+01  0.256678D+01  0.438688D+01  0.465421D+00  0.208899D+01
      4  -0.491955D+01 -0.644543D+01 -0.842846D+01  0.621983D+01  0.262179D+01
      5   0.303879D+01  0.417469D+01  0.444981D+01 -0.277230D+01  0.398850D+01
      6   0.743468D+01  0.536853D+01  0.983416D+01 -0.511207D+01  0.318292D+01
               101           102           103           104           105 
      1  -0.100094D+01  0.326150D+00 -0.189217D+01 -0.323635D+01 -0.292345D+01
      2   0.219211D+01 -0.214038D+01  0.304998D+01  0.273584D+01  0.254943D+01
      3  -0.119117D+01  0.181423D+01 -0.115781D+01  0.500508D+00  0.374022D+00
      4   0.469650D+01  0.347040D+01  0.305757D+01  0.320829D+01  0.173067D+01
      5   0.127253D+01  0.762273D+01 -0.276544D+00  0.139948D+01  0.811452D-01
      6   0.152539D+01  0.324689D+01  0.104645D+01  0.317276D+01  0.632821D+01
               106           107           108           109           110 
      1   0.473993D+00 -0.587907D+01 -0.149651D+02 -0.156997D+00 -0.196518D+02
      2  -0.356608D+01  0.308726D+01 -0.774183D+01 -0.127984D+01  0.135127D+02
      3   0.309208D+01  0.279180D+01  0.227070D+02  0.143684D+01  0.613920D+01
      4   0.508289D+01  0.368956D+01  0.749210D+01 -0.200425D+02 -0.204373D+02
      5   0.689452D+01  0.365164D+01  0.128619D+02  0.165698D+02 -0.106859D+01
      6   0.559579D+01  0.965693D+01  0.225907D+02 -0.194059D+01  0.297262D+01
               111           112           113           114           115 
      1   0.116364D+02 -0.265838D+02 -0.201206D+02  0.218591D+01  0.152282D+02
      2  -0.439824D+01  0.189876D+02  0.276036D+01 -0.515875D+01 -0.364016D+01
      3  -0.723811D+01  0.759626D+01  0.173602D+02  0.297284D+01 -0.115880D+02
      4  -0.121476D+01 -0.295410D+02  0.176602D+02  0.156436D+02 -0.165857D+01
      5  -0.293001D+01 -0.107767D+01  0.168110D+02  0.452350D+01 -0.729346D+01
      6   0.449844D+00  0.368357D+01 -0.528162D+01 -0.239590D+01  0.181497D+01
               116           117           118           119           120 
      1   0.135486D+01  0.140977D+01  0.342578D+01 -0.113011D+01 -0.285611D+01
      2  -0.516613D+01  0.529815D+01 -0.536257D+01  0.490450D+00  0.156745D+01
      3   0.381128D+01 -0.670792D+01  0.193679D+01  0.639665D+00  0.128866D+01
      4   0.159063D+02  0.559867D+01 -0.978012D+00  0.170600D+01 -0.778673D-01
      5   0.586678D+01 -0.325075D+02 -0.266468D+01 -0.474618D+00  0.782695D+01
      6  -0.313213D+01  0.696345D+01 -0.185194D+00 -0.171984D+00  0.350386D-01
               121           122           123           124           125 
      1  -0.491173D+00 -0.494702D+01  0.838812D+00 -0.402822D+01  0.123406D+01
      2  -0.719083D-01  0.710819D+00  0.633080D+00  0.476587D+01 -0.577027D-01
      3   0.563081D+00  0.423620D+01 -0.147189D+01 -0.737654D+00 -0.117636D+01
      4   0.158027D+01  0.111947D+01 -0.202956D+01  0.900227D+00 -0.230181D+01
      5  -0.486355D+00 -0.258630D+01  0.131640D+01  0.661423D+01  0.662048D+00
      6  -0.389725D+00 -0.388409D+00  0.764162D+01 -0.752678D-01  0.405667D+01
               126           127           128           129           130 
      1  -0.194122D+02  0.210420D+01  0.131098D+01  0.487981D+01  0.206633D+01
      2  -0.183252D+02 -0.300054D+01 -0.843189D+00 -0.336266D+01 -0.181633D+01
      3   0.377373D+02  0.896335D+00 -0.467793D+00 -0.151715D+01 -0.249998D+00
      4   0.130189D+01  0.110897D+01  0.303978D+01 -0.129710D+01  0.615188D+01
      5  -0.229147D+02  0.427306D+01 -0.713922D+00  0.697605D+01 -0.629716D+00
      6   0.100190D+00 -0.112744D+01 -0.602703D+00 -0.576084D+00  0.822575D+00
               131           132           133           134           135 
      1   0.103985D+01  0.672666D+00  0.111793D+02  0.127383D+00 -0.507088D+01
      2  -0.216704D+00 -0.233963D+00 -0.916294D+01  0.213860D+00 -0.135778D+02
      3  -0.823146D+00 -0.438703D+00 -0.201632D+01 -0.341243D+00  0.186487D+02
      4  -0.379776D+01  0.329545D+01 -0.368294D+01  0.599473D+01 -0.428778D+01
      5   0.306883D+01 -0.298561D+01  0.147193D+02 -0.461706D+01  0.411241D+02
      6  -0.124928D+01  0.554189D+01 -0.227471D+01  0.568218D+01 -0.944502D+01
               136           137           138           139           140 
      1   0.480494D+02  0.183113D+02 -0.768935D+01  0.306583D+02  0.152193D+02
      2  -0.251980D+02 -0.981574D+01  0.423176D+01 -0.155150D+02 -0.453859D+01
      3  -0.228514D+02 -0.849559D+01  0.345759D+01 -0.151432D+02 -0.106808D+02
      4   0.177781D+02  0.167251D+02 -0.295803D+01  0.217738D+02  0.188545D+02
      5  -0.875838D+01 -0.323503D+01  0.888056D+01 -0.463256D+01 -0.577667D+01
      6  -0.244466D+00 -0.272924D+00  0.336760D+00 -0.858771D+00 -0.516628D+00
               141           142           143           144           145 
      1  -0.359201D+01 -0.124817D+02 -0.297619D+01  0.584724D+01  0.140054D+02
      2   0.232937D+01  0.719936D+01  0.247987D+01 -0.520438D+01 -0.378724D+01
      3   0.126264D+01  0.528232D+01  0.496321D+00 -0.642857D+00 -0.102182D+02
      4  -0.576038D+01 -0.370526D+01 -0.702335D+01  0.408784D+01 -0.129963D+02
      5   0.721783D+01  0.113341D+02  0.472736D+01 -0.377315D+01 -0.605439D+01
      6   0.211658D+01  0.134662D+01  0.265671D+01 -0.191261D+01  0.250812D+01
               146           147           148           149           150 
      1  -0.805652D+01 -0.468185D+01 -0.124918D+02  0.509617D+01  0.387082D+00
      2   0.514488D+00  0.161724D+01 -0.832531D-01  0.136774D+02  0.300607D+01
      3   0.754203D+01  0.306461D+01  0.125750D+02 -0.187736D+02 -0.339315D+01
      4   0.178361D+02  0.453660D+01  0.262570D+02 -0.399636D+02 -0.107653D+02
      5   0.419146D+01  0.518592D+01  0.558762D+01 -0.108745D+02 -0.101840D+02
      6  -0.158251D+01 -0.157865D+01 -0.301553D+01  0.646786D+01  0.654424D+01
               151           152           153 
      1  -0.860822D+01  0.544386D+00  0.582457D+00
      2   0.328892D+01  0.271221D+01 -0.582603D+00
      3   0.531931D+01 -0.325660D+01  0.145427D-03
      4   0.756771D+01 -0.130057D+02 -0.863575D+01
      5   0.810645D+01 -0.909169D+01 -0.512443D+01
      6  -0.340802D+01  0.684355D+01  0.443061D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:19:59 2021, MaxMem=  5637144576 cpu:            4275.2 elap:             542.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13532 -10.27754 -10.20313 -10.19618 -10.19542
 Alpha  occ. eigenvalues --  -10.19438 -10.18692  -1.03973  -0.85008  -0.75049
 Alpha  occ. eigenvalues --   -0.71535  -0.65309  -0.57869  -0.53688  -0.50335
 Alpha  occ. eigenvalues --   -0.46916  -0.44856  -0.43841  -0.42311  -0.41754
 Alpha  occ. eigenvalues --   -0.39308  -0.38551  -0.36085  -0.34867  -0.34307
 Alpha  occ. eigenvalues --   -0.33672  -0.25152
 Alpha virt. eigenvalues --   -0.03086   0.01031   0.03196   0.03860   0.04429
 Alpha virt. eigenvalues --    0.06841   0.07301   0.08314   0.08750   0.10018
 Alpha virt. eigenvalues --    0.11027   0.11317   0.11956   0.13416   0.14313
 Alpha virt. eigenvalues --    0.14448   0.14920   0.15445   0.16938   0.17381
 Alpha virt. eigenvalues --    0.19011   0.20308   0.20529   0.21381   0.22485
 Alpha virt. eigenvalues --    0.23052   0.24919   0.26009   0.26614   0.28184
 Alpha virt. eigenvalues --    0.28863   0.30127   0.30658   0.30977   0.31270
 Alpha virt. eigenvalues --    0.31994   0.32525   0.32690   0.32982   0.33780
 Alpha virt. eigenvalues --    0.34171   0.35084   0.36203   0.36803   0.37534
 Alpha virt. eigenvalues --    0.38145   0.38351   0.38991   0.39317   0.39579
 Alpha virt. eigenvalues --    0.40305   0.41337   0.42812   0.43385   0.44471
 Alpha virt. eigenvalues --    0.44576   0.45241   0.46713   0.47903   0.48463
 Alpha virt. eigenvalues --    0.48996   0.49405   0.49735   0.50303   0.51180
 Alpha virt. eigenvalues --    0.51882   0.52056   0.52569   0.53867   0.54767
 Alpha virt. eigenvalues --    0.55133   0.56225   0.56605   0.57071   0.57893
 Alpha virt. eigenvalues --    0.59222   0.60253   0.60572   0.61338   0.62639
 Alpha virt. eigenvalues --    0.63160   0.64746   0.66521   0.67125   0.68327
 Alpha virt. eigenvalues --    0.71188   0.72063   0.72794   0.73291   0.77881
 Alpha virt. eigenvalues --    0.80558   0.82796   0.83771   0.87693   0.88574
 Alpha virt. eigenvalues --    0.90587   0.92581   0.93681   0.94576   0.97123
 Alpha virt. eigenvalues --    0.98621   0.98928   1.00737   1.01445   1.02287
 Alpha virt. eigenvalues --    1.03435   1.04574   1.05324   1.08333   1.10377
 Alpha virt. eigenvalues --    1.13156   1.14533   1.16686   1.17442   1.21479
 Alpha virt. eigenvalues --    1.22145   1.25277   1.26468   1.30664   1.32327
 Alpha virt. eigenvalues --    1.33170   1.35273   1.36033   1.38560   1.40659
 Alpha virt. eigenvalues --    1.45958   1.48925   1.58049   1.61429   1.63639
 Alpha virt. eigenvalues --    1.65811   1.66394   1.66789   1.69442   1.71391
 Alpha virt. eigenvalues --    1.73174   1.73892   1.77094   1.80085   1.82028
 Alpha virt. eigenvalues --    1.82878   1.85220   1.86570   1.88215   1.89840
 Alpha virt. eigenvalues --    1.92523   1.93798   1.97386   1.99223   2.01118
 Alpha virt. eigenvalues --    2.02712   2.04590   2.06486   2.07641   2.09604
 Alpha virt. eigenvalues --    2.11351   2.12412   2.13149   2.18891   2.20690
 Alpha virt. eigenvalues --    2.22576   2.25742   2.27874   2.29721   2.33629
 Alpha virt. eigenvalues --    2.38865   2.41281   2.45576   2.48345   2.49853
 Alpha virt. eigenvalues --    2.52402   2.55464   2.57852   2.61293   2.61656
 Alpha virt. eigenvalues --    2.63195   2.70359   2.71153   2.75009   2.80948
 Alpha virt. eigenvalues --    2.87414   2.90408   2.92966   2.96276   2.99669
 Alpha virt. eigenvalues --    3.02567   3.05253   3.05879   3.10943   3.12756
 Alpha virt. eigenvalues --    3.14633   3.20294   3.20496   3.24851   3.45899
 Alpha virt. eigenvalues --    3.83794
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.416867   0.269535   0.323410   0.002468  -0.015181   0.024363
     2  C    0.269535   5.561335   0.005394   0.027350   0.305523   0.050062
     3  C    0.323410   0.005394   4.837945   0.214913  -0.311426   0.247120
     4  C    0.002468   0.027350   0.214913   5.067311   0.229896   0.029052
     5  C   -0.015181   0.305523  -0.311426   0.229896   4.905937  -0.014975
     6  H    0.024363   0.050062   0.247120   0.029052  -0.014975   0.696239
     7  H    0.003123   0.005728   0.235834   0.092578   0.003382  -0.022257
     8  O   -0.003292  -0.012926  -0.016934   0.340738   0.030478  -0.012490
     9  H    0.013976  -0.027833   0.025919   0.045261   0.221966  -0.000381
    10  H    0.027336   0.038928   0.020311  -0.022779   0.136030  -0.000873
    11  H    0.218634   0.100851  -0.040708   0.029197   0.011734  -0.058405
    12  H    0.235148   0.039445  -0.104438   0.019467   0.046256   0.004971
    13  C   -0.015087   0.320416   0.008009   0.027428  -0.018254  -0.001091
    14  H    0.009488   0.190463   0.026963  -0.039225  -0.014234  -0.005513
    15  H   -0.026764   0.109195   0.005350   0.009808  -0.026940   0.000502
    16  H   -0.016862   0.101125   0.000598  -0.002061   0.031693  -0.000658
    17  H    0.025871   0.155437  -0.002333  -0.007172  -0.031462  -0.000596
               7          8          9         10         11         12
     1  C    0.003123  -0.003292   0.013976   0.027336   0.218634   0.235148
     2  C    0.005728  -0.012926  -0.027833   0.038928   0.100851   0.039445
     3  C    0.235834  -0.016934   0.025919   0.020311  -0.040708  -0.104438
     4  C    0.092578   0.340738   0.045261  -0.022779   0.029197   0.019467
     5  C    0.003382   0.030478   0.221966   0.136030   0.011734   0.046256
     6  H   -0.022257  -0.012490  -0.000381  -0.000873  -0.058405   0.004971
     7  H    0.910036  -0.021434  -0.001188   0.000111   0.039722  -0.055234
     8  O   -0.021434   8.094947  -0.029467  -0.013498   0.000042   0.003078
     9  H   -0.001188  -0.029467   1.030176  -0.038242  -0.006365  -0.004800
    10  H    0.000111  -0.013498  -0.038242   0.847598  -0.003429  -0.020699
    11  H    0.039722   0.000042  -0.006365  -0.003429   1.131407  -0.082215
    12  H   -0.055234   0.003078  -0.004800  -0.020699  -0.082215   0.989984
    13  C   -0.002807  -0.000408   0.010044  -0.032857  -0.036448  -0.032636
    14  H   -0.006200   0.011047  -0.085485   0.020028  -0.030627   0.018176
    15  H   -0.000264  -0.000646   0.000885   0.015686  -0.009843   0.004429
    16  H    0.000299  -0.000086   0.004633   0.006129   0.013011  -0.028315
    17  H    0.000093   0.001333  -0.002776  -0.026361   0.005762   0.004476
              13         14         15         16         17
     1  C   -0.015087   0.009488  -0.026764  -0.016862   0.025871
     2  C    0.320416   0.190463   0.109195   0.101125   0.155437
     3  C    0.008009   0.026963   0.005350   0.000598  -0.002333
     4  C    0.027428  -0.039225   0.009808  -0.002061  -0.007172
     5  C   -0.018254  -0.014234  -0.026940   0.031693  -0.031462
     6  H   -0.001091  -0.005513   0.000502  -0.000658  -0.000596
     7  H   -0.002807  -0.006200  -0.000264   0.000299   0.000093
     8  O   -0.000408   0.011047  -0.000646  -0.000086   0.001333
     9  H    0.010044  -0.085485   0.000885   0.004633  -0.002776
    10  H   -0.032857   0.020028   0.015686   0.006129  -0.026361
    11  H   -0.036448  -0.030627  -0.009843   0.013011   0.005762
    12  H   -0.032636   0.018176   0.004429  -0.028315   0.004476
    13  C    4.080042  -0.039665   0.215077   0.195566   0.155153
    14  H   -0.039665   1.248596  -0.000125  -0.003770   0.022434
    15  H    0.215077  -0.000125   0.787494  -0.014801  -0.054625
    16  H    0.195566  -0.003770  -0.014801   0.779480  -0.013150
    17  H    0.155153   0.022434  -0.054625  -0.013150   0.865964
 Mulliken charges:
               1
     1  C    0.506966
     2  C   -1.240026
     3  C    0.524072
     4  C   -0.064230
     5  C    0.509576
     6  H    0.064930
     7  H   -0.181522
     8  O   -0.370481
     9  H   -0.156323
    10  H    0.046582
    11  H   -0.282320
    12  H   -0.037092
    13  C    1.167516
    14  H   -0.322350
    15  H   -0.014419
    16  H   -0.052832
    17  H   -0.098047
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.187554
     2  C   -1.562376
     3  C    0.407480
     4  C   -0.064230
     5  C    0.399835
     8  O   -0.370481
    13  C    1.002218
 Electronic spatial extent (au):  <R**2>=            819.7341
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.0968    Y=              1.1845    Z=             -0.2028  Tot=              3.3218
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -54.0964   YY=            -43.5128   ZZ=            -42.3787
   XY=             -3.7607   XZ=              0.0965   YZ=              0.0064
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.4338   YY=              3.1498   ZZ=              4.2839
   XY=             -3.7607   XZ=              0.0965   YZ=              0.0064
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             20.7547  YYY=             -1.3079  ZZZ=              0.3534  XYY=             -0.2037
  XXY=              9.7440  XXZ=             -1.5158  XZZ=             -3.5546  YZZ=             -0.5262
  YYZ=             -1.3309  XYZ=             -0.6714
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -801.1367 YYYY=           -295.5266 ZZZZ=            -87.3317 XXXY=            -15.3456
 XXXZ=             -2.6057 YYYX=             -0.2829 YYYZ=              1.5177 ZZZX=              0.8088
 ZZZY=             -1.3041 XXYY=           -173.3266 XXZZ=           -132.7018 YYZZ=            -61.8305
 XXYZ=              1.1096 YYXZ=             -2.2849 ZZXY=              0.2995
 N-N= 3.060755746074D+02 E-N=-1.330456103448D+03  KE= 3.062370775862D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:20:01 2021, MaxMem=  5637144576 cpu:               7.4 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.16987960D+00 4.47327229D-01-7.97472953D-02
 Polarizability= 8.20998665D+01-1.97653910D-01 7.14869907D+01
                 2.18277203D-01-4.09231922D-01 5.84645547D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1605   -0.1604        0.0126    0.0127
 2      0.1605    0.1604        0.2520    0.2519       -5.8810   -5.8817
 3     -0.0126   -0.0127       13.0021   13.0030       -0.2520   -0.2519
 4     -0.2520   -0.2519       -0.0000    0.0000       -0.0122   -0.0127
 5     -7.1211   -7.1212        0.0122    0.0127       -0.1601   -0.1604
 6      0.2520    0.2519        0.1601    0.1604       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.4812    0.4812        0.0380    0.0380
 2     -0.7558   -0.7558       -0.0000    0.0000        0.0380    0.0380
 3     -0.7558   -0.7558        0.4812    0.4812        0.0000    0.0000
 4      0.4812    0.4812        0.7558    0.7558      -17.6452  -17.6452
 5     -0.0380   -0.0380       39.0089   39.0089       -0.7558   -0.7558
 6    -21.3637  -21.3637        0.0380    0.0380       -0.4812   -0.4812
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0018    0.0000        0.6250    0.6416       -0.0967   -0.0506
 2     -0.6246   -0.6416       -0.9940   -1.0077       23.5476   23.5269
 3      0.0305    0.0506      -51.9703  -52.0118        0.9788    1.0077
 4      1.0058    1.0077       -0.0073    0.0000        0.0557    0.0506
 5     28.4942   28.4849       -0.0451   -0.0506        0.6585    0.6416
 6     -0.9795   -1.0077       -0.6538   -0.6416        0.0033    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0526    0.0000        2.3334    2.2983        0.4419    0.4208
 2     -2.3028   -2.2983        7.2524    7.2861       -4.8305   -4.7987
 3     -0.3795   -0.4208        2.8034    2.7762       -7.2949   -7.2861
 4     -7.2882   -7.2861        0.0170    0.0000       -0.4147   -0.4208
 5      1.9564    2.0225        0.4028    0.4208        2.3244    2.2983
 6      7.3127    7.2861       -2.3145   -2.2983       -0.0229    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.6132   -1.6258       19.9121   19.8933        7.5972    7.5771
 2    -18.9708  -18.9599       21.9367   21.8978        7.6355    7.5771
 3    -18.9713  -18.9599       19.9393   19.8933        4.3798    4.3243
 4     -1.9774   -2.0045       17.3049   17.3341       -9.8670   -9.8713
 5     -3.2342   -3.2528        0.9389    0.9302      -17.3066  -17.3341
 6      8.8939    8.9411        3.2167    3.2528        2.0538    2.0045
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9418   -0.0005   -0.0004    0.0005    4.6992   10.1764
 Low frequencies ---   85.9645  172.0819  241.6185
 Diagonal vibrational polarizability:
        3.5032084       3.8653291      21.0127098
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     85.9637               172.0815               241.6185
 Red. masses --      2.9598                 1.9348                 1.0574
 Frc consts  --      0.0129                 0.0338                 0.0364
 IR Inten    --      5.5435                 0.2528                 0.0665
 RamAct Fr= 1--      0.4044                 0.2485                 0.0604
  Dep-P Fr= 1--      0.7275                 0.6270                 0.5755
  Dep-U Fr= 1--      0.8423                 0.7707                 0.7306
 Alpha2 Fr= 1--      0.0002                 0.0006                 0.0002
 Beta2  Fr= 1--      0.0568                 0.0319                 0.0074
 AlphaG Fr= 1--     -0.0011                -0.0042                 0.0000
 Gamma2 Fr= 1--     -0.1620                -0.1949                -0.0651
 Delta2 Fr= 1--      0.1095                -0.0559                 0.0553
 Raman1 Fr= 1--       1.618                  0.994                  0.242
 ROA1   Fr= 1--     -12.046                -20.495                 -4.478
 CID1   Fr= 1--      -7.446                -20.617                -18.519
 Raman2 Fr= 1--       0.681                  0.383                  0.088
 ROA2   Fr= 1--      -4.764                 -4.229                 -2.003
 CID2   Fr= 1--      -6.993                -11.039                -22.682
 Raman3 Fr= 1--       1.363                  0.766                  0.177
 ROA3   Fr= 1--     -12.046                -20.495                 -4.478
 CID3   Fr= 1--      -8.841                -26.750                -25.348
 RC180  Fr= 1--       0.685                  0.541                  0.461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.03  -0.04   0.17    -0.01   0.01   0.03
     2   6     0.04   0.03  -0.03    -0.02   0.02   0.06     0.00   0.03   0.00
     3   6     0.00  -0.01  -0.13     0.02  -0.01  -0.15    -0.01   0.00  -0.00
     4   6     0.00   0.00  -0.03    -0.01   0.01  -0.02     0.00  -0.00  -0.01
     5   6    -0.00  -0.02  -0.24     0.00   0.01   0.08     0.01   0.01  -0.03
     6   1     0.13  -0.11  -0.19     0.30  -0.17  -0.28     0.02   0.00  -0.01
     7   1    -0.07   0.07  -0.25    -0.14   0.12  -0.40    -0.03   0.00  -0.02
     8   8     0.01   0.01   0.24    -0.01   0.02   0.02     0.01  -0.02   0.00
     9   1    -0.04   0.14  -0.46     0.04  -0.03   0.12     0.02   0.04  -0.06
    10   1    -0.02  -0.29  -0.34    -0.02   0.07   0.10     0.01  -0.03  -0.04
    11   1     0.02   0.03   0.13     0.08   0.02   0.38    -0.01   0.04   0.08
    12   1    -0.14  -0.08   0.05    -0.25  -0.20   0.22    -0.04  -0.03   0.04
    13   6    -0.03  -0.00   0.13     0.04   0.00  -0.13    -0.01  -0.02  -0.00
    14   1     0.18   0.13  -0.02    -0.12   0.10   0.07     0.01   0.04   0.00
    15   1    -0.18  -0.11   0.13     0.18  -0.10  -0.14     0.12   0.51   0.03
    16   1     0.01   0.03   0.31    -0.01   0.05  -0.15     0.12  -0.34  -0.47
    17   1     0.04   0.04   0.09     0.01   0.05  -0.26    -0.28  -0.30   0.43
                      4                      5                      6
                      A                      A                      A
 Frequencies --    281.8158               413.1140               461.5819
 Red. masses --      2.5876                 1.8208                 2.2680
 Frc consts  --      0.1211                 0.1831                 0.2847
 IR Inten    --      1.0650                 0.5374                 0.5640
 RamAct Fr= 1--      0.4119                 0.8653                 2.2950
  Dep-P Fr= 1--      0.7168                 0.1217                 0.3131
  Dep-U Fr= 1--      0.8351                 0.2169                 0.4769
 Alpha2 Fr= 1--      0.0002                 0.0144                 0.0226
 Beta2  Fr= 1--      0.0573                 0.0313                 0.1824
 AlphaG Fr= 1--     -0.0023                 0.0081                 0.0348
 Gamma2 Fr= 1--     -0.1700                -0.1886                 0.7704
 Delta2 Fr= 1--      0.0347                -0.0346                -0.4286
 Raman1 Fr= 1--       1.648                  3.461                  9.180
 ROA1   Fr= 1--     -15.208                -19.216                 60.246
 CID1   Fr= 1--      -9.231                 -5.551                  6.563
 Raman2 Fr= 1--       0.688                  0.375                  2.189
 ROA2   Fr= 1--      -4.357                 -4.250                 21.919
 CID2   Fr= 1--      -6.334                -11.319                 10.014
 Raman3 Fr= 1--       1.376                  0.751                  4.378
 ROA3   Fr= 1--     -15.208                -19.216                 60.246
 CID3   Fr= 1--     -11.054                -25.591                 13.762
 RC180  Fr= 1--       0.670                 -0.566                 -0.046
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.13   0.01    -0.02   0.10  -0.03     0.03   0.03   0.00
     2   6    -0.01  -0.12  -0.00     0.03   0.01   0.17    -0.08   0.02  -0.04
     3   6     0.05  -0.04   0.02    -0.03  -0.03  -0.00     0.07  -0.01   0.01
     4   6    -0.03  -0.01  -0.00    -0.02  -0.02   0.04     0.06   0.00   0.23
     5   6    -0.05  -0.12  -0.03    -0.01  -0.05  -0.02     0.00  -0.05   0.01
     6   1     0.05  -0.00   0.03    -0.07  -0.12  -0.03     0.21  -0.43  -0.17
     7   1     0.08  -0.03   0.05    -0.07  -0.01  -0.05    -0.01   0.29  -0.32
     8   8    -0.08   0.12  -0.01    -0.05   0.04  -0.02     0.05  -0.01  -0.10
     9   1    -0.11  -0.06  -0.10    -0.01   0.16  -0.33    -0.18   0.15  -0.25
    10   1    -0.08  -0.21  -0.06    -0.09  -0.42  -0.13     0.23  -0.37  -0.13
    11   1     0.09  -0.14   0.04    -0.11   0.00  -0.31     0.04  -0.00  -0.04
    12   1     0.04  -0.18   0.01     0.03   0.44  -0.06     0.09   0.03  -0.01
    13   6     0.08   0.22   0.01     0.11  -0.04  -0.03    -0.14   0.04  -0.01
    14   1    -0.01  -0.14  -0.00     0.03   0.01   0.17    -0.13   0.03  -0.04
    15   1     0.17   0.52   0.03     0.37  -0.13  -0.04    -0.24   0.06  -0.00
    16   1    -0.14   0.35  -0.22     0.07  -0.05  -0.16    -0.12   0.04   0.05
    17   1     0.32   0.21   0.23    -0.01  -0.02  -0.19    -0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    489.2637               539.5868               585.8708
 Red. masses --      3.5448                 3.7346                 2.7715
 Frc consts  --      0.4999                 0.6406                 0.5605
 IR Inten    --      7.6932                 4.0311                 3.5677
 RamAct Fr= 1--      1.5569                 5.9955                 1.7707
  Dep-P Fr= 1--      0.7404                 0.1652                 0.6738
  Dep-U Fr= 1--      0.8509                 0.2835                 0.8051
 Alpha2 Fr= 1--      0.0003                 0.0892                 0.0024
 Beta2  Fr= 1--      0.2208                 0.2833                 0.2376
 AlphaG Fr= 1--     -0.0021                 0.1036                 0.0295
 Gamma2 Fr= 1--      0.0027                -0.2042                -0.0494
 Delta2 Fr= 1--      0.1358                 0.1526                 0.1792
 Raman1 Fr= 1--       6.227                 23.982                  7.083
 ROA1   Fr= 1--       4.608                -14.716                  0.992
 CID1   Fr= 1--       0.740                 -0.614                  0.140
 Raman2 Fr= 1--       2.649                  3.399                  2.851
 ROA2   Fr= 1--      -1.021                 -6.121                 -2.620
 CID2   Fr= 1--      -0.385                 -1.801                 -0.919
 Raman3 Fr= 1--       5.299                  6.799                  5.702
 ROA3   Fr= 1--       4.608                -14.716                  0.992
 CID3   Fr= 1--       0.870                 -2.165                  0.174
 RC180  Fr= 1--       0.702                 -0.433                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.00     0.03  -0.05  -0.03     0.18   0.08   0.05
     2   6     0.05   0.11  -0.10     0.16   0.03  -0.12    -0.03   0.07   0.03
     3   6    -0.03  -0.21   0.03    -0.04   0.00   0.04     0.17  -0.08   0.05
     4   6     0.04  -0.13   0.03    -0.19   0.04   0.19    -0.09  -0.10  -0.11
     5   6     0.17  -0.05   0.01    -0.03   0.15  -0.03    -0.05   0.03  -0.05
     6   1    -0.07  -0.32   0.00     0.08  -0.33  -0.11     0.42  -0.14  -0.04
     7   1    -0.15  -0.27  -0.03     0.05   0.40  -0.22     0.05   0.04  -0.17
     8   8    -0.11   0.25  -0.01    -0.17  -0.10  -0.06    -0.12  -0.08   0.04
     9   1     0.36  -0.19   0.18    -0.16   0.10   0.07     0.23  -0.13   0.14
    10   1     0.34   0.19   0.06     0.15   0.21  -0.04    -0.17   0.28   0.06
    11   1    -0.23   0.14   0.06    -0.06   0.09   0.14     0.04  -0.02  -0.28
    12   1    -0.05  -0.04   0.00     0.02  -0.22  -0.01     0.41   0.33  -0.01
    13   6    -0.02  -0.03   0.01     0.21  -0.04   0.04    -0.08   0.04  -0.01
    14   1     0.06   0.13  -0.10     0.28   0.01  -0.12    -0.06   0.16   0.04
    15   1    -0.20  -0.07   0.01     0.11  -0.03   0.04    -0.07   0.07  -0.01
    16   1     0.16  -0.15   0.14     0.26  -0.07   0.10    -0.09   0.05  -0.03
    17   1    -0.13  -0.08   0.04     0.22  -0.05   0.08    -0.07   0.04   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    728.5251               813.0151               846.7990
 Red. masses --      1.9441                 3.0333                 2.2085
 Frc consts  --      0.6079                 1.1813                 0.9331
 IR Inten    --      2.3210                 3.4007                 0.6577
 RamAct Fr= 1--      2.2562                12.4646                 4.9290
  Dep-P Fr= 1--      0.0672                 0.1071                 0.1295
  Dep-U Fr= 1--      0.1259                 0.1935                 0.2293
 Alpha2 Fr= 1--      0.0428                 0.2145                 0.0802
 Beta2  Fr= 1--      0.0473                 0.4020                 0.1883
 AlphaG Fr= 1--     -0.0256                -0.1183                -0.1927
 Gamma2 Fr= 1--     -0.2199                 0.7974                -0.3897
 Delta2 Fr= 1--     -0.3165                -0.0225                 0.1687
 Raman1 Fr= 1--       9.025                 49.858                 19.716
 ROA1   Fr= 1--     -31.233                 75.834                -32.010
 CID1   Fr= 1--      -3.461                  1.521                 -1.624
 Raman2 Fr= 1--       0.568                  4.824                  2.260
 ROA2   Fr= 1--      -2.745                 19.318                -10.702
 CID2   Fr= 1--      -4.832                  4.004                 -4.735
 Raman3 Fr= 1--       1.136                  9.648                  4.520
 ROA3   Fr= 1--     -31.233                 75.834                -32.010
 CID3   Fr= 1--     -27.492                  7.860                 -7.082
 RC180  Fr= 1--      -0.748                 -0.613                 -0.541
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.04    -0.05   0.10   0.07     0.04   0.19   0.06
     2   6    -0.01  -0.07  -0.01    -0.02  -0.08  -0.07     0.01   0.01  -0.12
     3   6    -0.06  -0.08   0.10    -0.07   0.26   0.05     0.02  -0.05  -0.04
     4   6     0.08   0.07  -0.02    -0.04  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.10   0.05  -0.09     0.13  -0.23  -0.04    -0.15  -0.07   0.08
     6   1     0.20  -0.42  -0.08     0.25   0.09  -0.09    -0.02   0.12   0.03
     7   1    -0.30   0.09  -0.26    -0.22   0.41  -0.21    -0.15  -0.32   0.05
     8   8     0.11   0.04  -0.00    -0.04  -0.01   0.01     0.01  -0.01   0.01
     9   1    -0.18  -0.15   0.22     0.23  -0.40   0.18    -0.43   0.01  -0.00
    10   1    -0.24   0.39   0.05     0.22   0.07   0.05    -0.13  -0.21   0.03
    11   1    -0.25  -0.05  -0.23     0.00  -0.04  -0.14    -0.06   0.33   0.20
    12   1     0.15   0.20  -0.02     0.13   0.24   0.03     0.00   0.02   0.07
    13   6     0.04  -0.02   0.01     0.05  -0.03  -0.00     0.10  -0.03  -0.02
    14   1     0.07   0.01  -0.01    -0.05   0.03  -0.06    -0.18  -0.01  -0.12
    15   1     0.10   0.03   0.01    -0.11   0.04   0.01    -0.27   0.09  -0.00
    16   1    -0.06   0.05  -0.05     0.06  -0.01   0.08     0.18  -0.02   0.21
    17   1     0.13   0.00   0.02     0.17  -0.05   0.13     0.27  -0.08   0.23
                     13                     14                     15
                      A                      A                      A
 Frequencies --    893.0032               938.9536               953.0763
 Red. masses --      1.6298                 1.7363                 1.3845
 Frc consts  --      0.7658                 0.9019                 0.7410
 IR Inten    --      4.7625                 0.6940                 2.0220
 RamAct Fr= 1--      0.8283                 1.3897                 0.6932
  Dep-P Fr= 1--      0.3493                 0.5056                 0.4195
  Dep-U Fr= 1--      0.5177                 0.6716                 0.5910
 Alpha2 Fr= 1--      0.0073                 0.0067                 0.0048
 Beta2  Fr= 1--      0.0715                 0.1556                 0.0683
 AlphaG Fr= 1--      0.0399                -0.0177                 0.0497
 Gamma2 Fr= 1--      0.0529                 0.1440                -0.3585
 Delta2 Fr= 1--     -0.2937                 0.4000                -0.0899
 Raman1 Fr= 1--       3.313                  5.559                  2.773
 ROA1   Fr= 1--      -4.318                 26.625                -37.290
 CID1   Fr= 1--      -1.303                  4.790                -13.448
 Raman2 Fr= 1--       0.858                  1.867                  0.819
 ROA2   Fr= 1--       3.620                  0.256                 -7.884
 CID2   Fr= 1--       4.221                  0.137                 -9.621
 Raman3 Fr= 1--       1.715                  3.733                  1.639
 ROA3   Fr= 1--      -4.318                 26.625                -37.290
 CID3   Fr= 1--      -2.517                  7.132                -22.754
 RC180  Fr= 1--       0.035                  0.343                  0.182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.09   0.05    -0.07  -0.07  -0.06    -0.04  -0.08   0.07
     2   6     0.01  -0.02  -0.03     0.01   0.11  -0.01    -0.00   0.04   0.00
     3   6    -0.06  -0.03   0.02     0.06   0.02   0.06     0.04  -0.01  -0.09
     4   6    -0.03   0.06  -0.08     0.00   0.02  -0.05    -0.00   0.02   0.07
     5   6     0.09   0.09   0.10    -0.06  -0.10   0.04    -0.03  -0.02  -0.04
     6   1     0.30   0.14  -0.02     0.22  -0.04  -0.00    -0.07   0.26   0.03
     7   1    -0.23  -0.06  -0.10     0.13   0.23  -0.06     0.21  -0.12   0.15
     8   8    -0.01  -0.00   0.01     0.02  -0.01   0.01     0.01  -0.01  -0.01
     9   1     0.04   0.34  -0.26    -0.06  -0.08   0.01    -0.29  -0.13   0.16
    10   1     0.08  -0.33  -0.04    -0.28  -0.11   0.07     0.25   0.15  -0.02
    11   1    -0.23  -0.14  -0.27    -0.18   0.02  -0.01    -0.06  -0.29  -0.32
    12   1     0.32   0.12  -0.03     0.05  -0.16  -0.08    -0.05   0.40   0.04
    13   6     0.01  -0.00  -0.04     0.05   0.10   0.01     0.03   0.01  -0.01
    14   1    -0.22  -0.06  -0.03    -0.05  -0.06  -0.02    -0.03   0.44   0.03
    15   1    -0.29   0.07  -0.02    -0.07  -0.21  -0.01    -0.12   0.02  -0.01
    16   1     0.09  -0.01   0.15     0.49  -0.28   0.15     0.14  -0.05   0.09
    17   1     0.09  -0.05   0.14    -0.48  -0.03  -0.11    -0.01  -0.04   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1001.0357              1007.7734              1085.6066
 Red. masses --      1.7890                 1.2097                 2.6980
 Frc consts  --      1.0562                 0.7239                 1.8734
 IR Inten    --      2.3278                 1.1242                14.4784
 RamAct Fr= 1--      4.3554                 1.6492                 2.1580
  Dep-P Fr= 1--      0.4385                 0.3512                 0.7409
  Dep-U Fr= 1--      0.6097                 0.5199                 0.8512
 Alpha2 Fr= 1--      0.0279                 0.0144                 0.0003
 Beta2  Fr= 1--      0.4426                 0.1429                 0.3061
 AlphaG Fr= 1--      0.0244                -0.1266                 0.0086
 Gamma2 Fr= 1--     -0.5770                -0.4087                -0.2114
 Delta2 Fr= 1--      0.1671                 1.2350                 0.2962
 Raman1 Fr= 1--      17.422                  6.597                  8.632
 ROA1   Fr= 1--     -50.047                  0.282                -10.812
 CID1   Fr= 1--      -2.873                  0.043                 -1.252
 Raman2 Fr= 1--       5.311                  1.715                  3.674
 ROA2   Fr= 1--     -15.186                -19.689                 -7.443
 CID2   Fr= 1--      -2.860                -11.482                 -2.026
 Raman3 Fr= 1--      10.621                  3.430                  7.347
 ROA3   Fr= 1--     -50.047                  0.282                -10.812
 CID3   Fr= 1--      -4.712                  0.082                 -1.472
 RC180  Fr= 1--       0.219                  0.040                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.04  -0.01     0.04   0.01   0.03     0.04   0.03   0.04
     2   6     0.00  -0.04  -0.03     0.04   0.00  -0.05     0.26  -0.09   0.05
     3   6     0.17  -0.02   0.01    -0.04   0.01  -0.02    -0.03  -0.05  -0.00
     4   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.06   0.14  -0.01
     5   6     0.02   0.02   0.02    -0.01  -0.03   0.03     0.06  -0.08   0.01
     6   1     0.34   0.22   0.06     0.19   0.22  -0.00    -0.25  -0.15   0.01
     7   1     0.36   0.10   0.07    -0.28  -0.21  -0.04     0.17   0.11   0.03
     8   8    -0.01  -0.02   0.00    -0.01  -0.00   0.00    -0.01  -0.02   0.00
     9   1    -0.02   0.06  -0.03    -0.34  -0.03   0.06    -0.18  -0.11   0.08
    10   1     0.14  -0.05  -0.02     0.30  -0.05  -0.03    -0.29  -0.05   0.07
    11   1    -0.56   0.28   0.02    -0.06   0.03  -0.03    -0.20   0.19   0.07
    12   1    -0.14   0.05  -0.01     0.28  -0.06  -0.02    -0.21   0.25   0.08
    13   6    -0.02  -0.05   0.02    -0.05   0.04   0.06    -0.14   0.06  -0.11
    14   1     0.11  -0.12  -0.03     0.39  -0.06  -0.04     0.34  -0.05   0.05
    15   1     0.16   0.04   0.02     0.34  -0.13   0.03    -0.44   0.09  -0.11
    16   1    -0.24   0.11  -0.13    -0.09  -0.03  -0.20    -0.07   0.04   0.04
    17   1     0.17   0.03  -0.02    -0.27   0.09  -0.24    -0.18  -0.01   0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1149.8992              1161.7118              1173.7216
 Red. masses --      2.1147                 3.0108                 1.5625
 Frc consts  --      1.6475                 2.3940                 1.2683
 IR Inten    --      1.5556                57.5608                 6.6993
 RamAct Fr= 1--      2.1365                 2.1582                 1.2222
  Dep-P Fr= 1--      0.7384                 0.7261                 0.6971
  Dep-U Fr= 1--      0.8495                 0.8413                 0.8215
 Alpha2 Fr= 1--      0.0004                 0.0009                 0.0011
 Beta2  Fr= 1--      0.3025                 0.3026                 0.1673
 AlphaG Fr= 1--     -0.0040                 0.0012                 0.0025
 Gamma2 Fr= 1--     -0.5925                 0.4319                -0.8419
 Delta2 Fr= 1--      0.2004                 0.0223                 0.2543
 Raman1 Fr= 1--       8.546                  8.633                  4.889
 ROA1   Fr= 1--     -50.463                 42.177                -72.680
 CID1   Fr= 1--      -5.905                  4.886                -14.867
 Raman2 Fr= 1--       3.630                  3.631                  2.008
 ROA2   Fr= 1--     -15.822                 10.188                -22.239
 CID2   Fr= 1--      -4.359                  2.806                -11.074
 Raman3 Fr= 1--       7.260                  7.263                  4.016
 ROA3   Fr= 1--     -50.463                 42.177                -72.680
 CID3   Fr= 1--      -6.951                  5.807                -18.097
 RC180  Fr= 1--       0.699                  0.683                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.05     0.08   0.02  -0.03     0.06  -0.04   0.01
     2   6     0.08   0.17  -0.00    -0.13   0.04  -0.02    -0.01   0.06   0.02
     3   6    -0.08   0.04   0.03     0.01  -0.13   0.04    -0.06  -0.02  -0.09
     4   6     0.04  -0.08  -0.07    -0.11   0.28  -0.11    -0.02   0.07   0.12
     5   6    -0.07  -0.06   0.09     0.04  -0.13   0.04    -0.03  -0.06  -0.05
     6   1     0.01  -0.06  -0.03    -0.27  -0.33   0.03     0.08   0.32  -0.00
     7   1     0.16   0.37  -0.04     0.11   0.04  -0.02     0.01  -0.11   0.05
     8   8     0.02   0.02   0.01     0.03  -0.04   0.02     0.03  -0.00  -0.02
     9   1    -0.12   0.01  -0.01     0.06  -0.10  -0.01     0.53  -0.14  -0.00
    10   1    -0.04  -0.17   0.04     0.56  -0.05  -0.02    -0.27   0.07   0.04
    11   1    -0.10   0.01  -0.02    -0.01   0.13   0.09    -0.44   0.26   0.02
    12   1     0.05  -0.05  -0.05    -0.15  -0.01   0.02     0.36  -0.15  -0.04
    13   6    -0.04  -0.11  -0.01     0.04  -0.03   0.07     0.00  -0.02   0.00
    14   1     0.20   0.47   0.02    -0.19   0.34  -0.01    -0.09  -0.11   0.01
    15   1     0.05   0.24   0.01     0.28  -0.03   0.06     0.02   0.04   0.01
    16   1    -0.38   0.21  -0.08    -0.04  -0.00  -0.06    -0.06   0.04   0.00
    17   1     0.38   0.02   0.05     0.09   0.03  -0.03     0.09   0.00   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1224.2581              1255.4362              1269.5278
 Red. masses --      1.6254                 1.4809                 1.5134
 Frc consts  --      1.4353                 1.3752                 1.4371
 IR Inten    --      1.2887                 0.2313                 7.1775
 RamAct Fr= 1--      1.6803                 4.6020                 0.5321
  Dep-P Fr= 1--      0.5720                 0.7166                 0.4483
  Dep-U Fr= 1--      0.7278                 0.8349                 0.6190
 Alpha2 Fr= 1--      0.0056                 0.0027                 0.0033
 Beta2  Fr= 1--      0.2038                 0.6404                 0.0549
 AlphaG Fr= 1--      0.0101                 0.0008                 0.0092
 Gamma2 Fr= 1--     -1.3054                 1.2743                -0.5505
 Delta2 Fr= 1--     -0.5504                 0.1490                -0.4720
 Raman1 Fr= 1--       6.721                 18.408                  2.128
 ROA1   Fr= 1--    -142.928                127.102                -67.946
 CID1   Fr= 1--     -21.265                  6.905                -31.923
 Raman2 Fr= 1--       2.446                  7.684                  0.659
 ROA2   Fr= 1--     -26.926                 29.392                 -9.435
 CID2   Fr= 1--     -11.009                  3.825                -14.322
 Raman3 Fr= 1--       4.892                 15.369                  1.318
 ROA3   Fr= 1--    -142.928                127.102                -67.946
 CID3   Fr= 1--     -29.219                  8.270                -51.570
 RC180  Fr= 1--       0.456                  0.670                  0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.13     0.07   0.02   0.00    -0.02   0.02  -0.03
     2   6     0.01   0.02   0.15    -0.05  -0.04   0.08    -0.02   0.05  -0.00
     3   6     0.02  -0.01   0.05    -0.11  -0.05  -0.02    -0.00  -0.04  -0.01
     4   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.02   0.03   0.03
     5   6    -0.02  -0.02  -0.04     0.02   0.03  -0.05     0.18  -0.02  -0.03
     6   1     0.43   0.21   0.03     0.06   0.15   0.01     0.13   0.13   0.02
     7   1    -0.38  -0.27  -0.07     0.41   0.45   0.01     0.00  -0.04  -0.00
     8   8    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.03  -0.01  -0.00
     9   1    -0.11  -0.10   0.09    -0.37  -0.02   0.08    -0.59  -0.04   0.09
    10   1     0.35   0.10  -0.05     0.35   0.11  -0.07    -0.60   0.03   0.11
    11   1     0.13   0.05   0.12    -0.23   0.25   0.11     0.14  -0.06  -0.00
    12   1    -0.11  -0.25  -0.10     0.14  -0.08   0.00     0.11  -0.17  -0.04
    13   6     0.00  -0.02  -0.08     0.02   0.03  -0.02    -0.00  -0.04   0.03
    14   1     0.10   0.09   0.15    -0.21  -0.19   0.07    -0.28   0.11  -0.00
    15   1    -0.28   0.13  -0.06    -0.07  -0.04  -0.01     0.11   0.03   0.03
    16   1     0.00   0.07   0.15     0.09  -0.02   0.07    -0.11   0.04  -0.05
    17   1     0.10  -0.08   0.15    -0.08  -0.03   0.05     0.07   0.02  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1306.2423              1322.2091              1349.7942
 Red. masses --      1.3296                 1.3833                 1.3208
 Frc consts  --      1.3366                 1.4248                 1.4178
 IR Inten    --      2.2960                 3.5079                 2.0346
 RamAct Fr= 1--      2.9023                 0.7472                 5.0845
  Dep-P Fr= 1--      0.7486                 0.7482                 0.7472
  Dep-U Fr= 1--      0.8562                 0.8560                 0.8553
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0002
 Beta2  Fr= 1--      0.4142                 0.1066                 0.7248
 AlphaG Fr= 1--     -0.0047                 0.0007                -0.0100
 Gamma2 Fr= 1--     -3.5818                 0.0214                -1.0485
 Delta2 Fr= 1--     -0.9771                -0.6093                 1.1311
 Raman1 Fr= 1--      11.609                  2.989                 20.338
 ROA1   Fr= 1--    -375.118                -17.443                -64.458
 CID1   Fr= 1--     -32.313                 -5.836                 -3.169
 Raman2 Fr= 1--       4.970                  1.279                  8.697
 ROA2   Fr= 1--     -78.147                  5.388                -34.212
 CID2   Fr= 1--     -15.724                  4.212                 -3.934
 Raman3 Fr= 1--       9.940                  2.558                 17.395
 ROA3   Fr= 1--    -375.118                -17.443                -64.458
 CID3   Fr= 1--     -37.739                 -6.818                 -3.706
 RC180  Fr= 1--       0.712                  0.712                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.02    -0.11   0.08   0.05    -0.01   0.05  -0.03
     2   6     0.01  -0.01  -0.06    -0.02   0.05   0.02    -0.04  -0.14   0.00
     3   6    -0.09  -0.10   0.03    -0.01  -0.07  -0.03    -0.01  -0.02  -0.01
     4   6    -0.00   0.02   0.03    -0.02   0.04  -0.01     0.00  -0.02   0.01
     5   6    -0.03  -0.01   0.01    -0.01  -0.02   0.01     0.01   0.03   0.03
     6   1     0.50   0.41   0.07    -0.07  -0.00   0.01     0.00   0.07   0.01
     7   1     0.15   0.21  -0.03     0.29   0.14   0.04     0.06   0.08  -0.03
     8   8     0.02   0.01  -0.01     0.01  -0.00   0.00     0.00   0.01  -0.00
     9   1     0.24   0.01  -0.04     0.07  -0.01  -0.01     0.15   0.06  -0.02
    10   1    -0.10  -0.04   0.01     0.06  -0.02   0.00    -0.15  -0.08   0.02
    11   1     0.35  -0.14   0.01     0.40  -0.31  -0.11    -0.05   0.11   0.04
    12   1    -0.44   0.24   0.06     0.47  -0.27  -0.04     0.23  -0.27  -0.06
    13   6    -0.01   0.01   0.02    -0.00  -0.02  -0.05     0.01   0.04  -0.01
    14   1     0.04   0.02  -0.06     0.41  -0.27   0.00     0.24   0.81   0.06
    15   1     0.05  -0.03   0.01    -0.05   0.06  -0.03    -0.04  -0.14  -0.02
    16   1     0.02  -0.04  -0.05     0.04   0.01   0.09     0.08  -0.05  -0.03
    17   1    -0.02   0.03  -0.06     0.12  -0.03   0.09    -0.08  -0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1386.8413              1416.8470              1450.1610
 Red. masses --      1.5337                 1.2493                 1.0910
 Frc consts  --      1.7380                 1.4776                 1.3517
 IR Inten    --      4.6972                 4.0681                16.6473
 RamAct Fr= 1--      3.0173                 0.1468                 1.6154
  Dep-P Fr= 1--      0.7197                 0.2823                 0.7309
  Dep-U Fr= 1--      0.8370                 0.4403                 0.8445
 Alpha2 Fr= 1--      0.0016                 0.0016                 0.0005
 Beta2  Fr= 1--      0.4209                 0.0108                 0.2274
 AlphaG Fr= 1--     -0.0033                 0.0137                -0.0063
 Gamma2 Fr= 1--     -0.9442                -0.0043                -0.3861
 Delta2 Fr= 1--      0.1459                 0.0471                 0.2299
 Raman1 Fr= 1--      12.069                  0.587                  6.461
 ROA1   Fr= 1--     -85.978                  1.095                -29.713
 CID1   Fr= 1--      -7.124                  1.864                 -4.599
 Raman2 Fr= 1--       5.051                  0.129                  2.728
 ROA2   Fr= 1--     -23.829                 -0.479                -11.106
 CID2   Fr= 1--      -4.717                 -3.706                 -4.070
 Raman3 Fr= 1--      10.102                  0.259                  5.457
 ROA3   Fr= 1--     -85.978                  1.095                -29.713
 CID3   Fr= 1--      -8.511                  4.234                 -5.445
 RC180  Fr= 1--       0.674                 -0.119                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.04   0.01     0.00  -0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.18   0.03  -0.01     0.02  -0.01   0.01     0.02  -0.01   0.00
     3   6    -0.01   0.02  -0.00    -0.00   0.01   0.00     0.02  -0.02   0.00
     4   6     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
     5   6     0.07  -0.01   0.02     0.00  -0.00  -0.00    -0.01  -0.07   0.02
     6   1     0.04  -0.04  -0.03     0.01   0.00  -0.00    -0.18   0.18   0.11
     7   1    -0.02  -0.05   0.05    -0.03  -0.01  -0.00    -0.11   0.12  -0.22
     8   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.14   0.10  -0.10    -0.02   0.02  -0.03    -0.05   0.35  -0.54
    10   1    -0.22   0.08   0.09     0.00   0.04   0.01     0.04   0.60   0.22
    11   1    -0.19   0.10   0.00    -0.03   0.01  -0.00     0.03   0.00   0.04
    12   1    -0.26   0.18   0.06    -0.03  -0.00  -0.00     0.06   0.02  -0.01
    13   6     0.04  -0.00  -0.05    -0.13   0.04  -0.04     0.00  -0.00   0.00
    14   1     0.78  -0.15  -0.00    -0.06   0.01   0.01    -0.05   0.02   0.00
    15   1    -0.05  -0.00  -0.04     0.56  -0.13  -0.05    -0.01  -0.01   0.00
    16   1     0.09   0.01   0.14     0.38  -0.33   0.26    -0.04   0.03  -0.01
    17   1     0.06  -0.08   0.14     0.48   0.08   0.28    -0.04  -0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1453.9407              1496.2972              1499.7307
 Red. masses --      1.0894                 1.0556                 1.0530
 Frc consts  --      1.3569                 1.3925                 1.3954
 IR Inten    --      3.3123                 1.9298                 5.6881
 RamAct Fr= 1--      9.4578                 3.0113                 4.1357
  Dep-P Fr= 1--      0.6340                 0.7137                 0.6711
  Dep-U Fr= 1--      0.7760                 0.8329                 0.8032
 Alpha2 Fr= 1--      0.0199                 0.0019                 0.0058
 Beta2  Fr= 1--      1.2232                 0.4180                 0.5536
 AlphaG Fr= 1--     -0.0933                -0.0118                -0.0025
 Gamma2 Fr= 1--      1.0665                 0.0864                 0.2070
 Delta2 Fr= 1--     -0.6626                -0.1704                -0.7794
 Raman1 Fr= 1--      37.831                 12.045                 16.543
 ROA1   Fr= 1--      81.178                  2.843                 -5.064
 CID1   Fr= 1--       2.146                  0.236                 -0.306
 Raman2 Fr= 1--      14.678                  5.016                  6.644
 ROA2   Fr= 1--      30.897                  3.436                 11.204
 CID2   Fr= 1--       2.105                  0.685                  1.686
 Raman3 Fr= 1--      29.357                 10.033                 13.287
 ROA3   Fr= 1--      81.178                  2.843                 -5.064
 CID3   Fr= 1--       2.765                  0.283                 -0.381
 RC180  Fr= 1--       0.552                  0.666                  0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.01   0.02   0.01     0.02   0.02   0.02
     2   6     0.02  -0.01  -0.00     0.00  -0.03  -0.01     0.02   0.01  -0.02
     3   6    -0.06   0.04  -0.02    -0.01   0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.03   0.01    -0.00   0.00   0.00    -0.01  -0.00   0.00
     6   1     0.42  -0.40  -0.26     0.03  -0.02  -0.02     0.03  -0.02  -0.02
     7   1     0.27  -0.28   0.51     0.03  -0.01   0.04     0.01  -0.02   0.03
     8   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.02   0.14  -0.22     0.02   0.03  -0.03     0.02   0.00  -0.01
    10   1     0.03   0.23   0.09    -0.01   0.03   0.01     0.00   0.00   0.00
    11   1     0.07   0.03   0.11    -0.06  -0.02  -0.14    -0.06  -0.09  -0.25
    12   1     0.10   0.07  -0.03    -0.07  -0.14   0.03    -0.16  -0.21   0.05
    13   6    -0.00   0.00   0.01    -0.01  -0.05  -0.02     0.02   0.02  -0.04
    14   1    -0.06   0.06   0.00    -0.01   0.07  -0.00    -0.08  -0.01  -0.02
    15   1    -0.01  -0.03   0.00     0.26   0.61   0.03     0.28  -0.32  -0.05
    16   1    -0.01  -0.00  -0.04     0.09   0.10   0.55    -0.27   0.37   0.19
    17   1    -0.01   0.00  -0.00    -0.26   0.03  -0.33    -0.31  -0.31   0.47
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1505.1046              1816.0933              2998.1861
 Red. masses --      1.0821                12.5633                 1.0812
 Frc consts  --      1.4442                24.4134                 5.7261
 IR Inten    --      7.6336               270.7608                 5.8995
 RamAct Fr= 1--      7.5059                19.0168               215.2726
  Dep-P Fr= 1--      0.7423                 0.5140                 0.1958
  Dep-U Fr= 1--      0.8521                 0.6790                 0.3274
 Alpha2 Fr= 1--      0.0010                 0.0878                 2.9565
 Beta2  Fr= 1--      1.0660                 2.1521                11.7471
 AlphaG Fr= 1--     -0.0037                -0.5021                 1.2694
 Gamma2 Fr= 1--     -0.0428                -4.9491                -9.7771
 Delta2 Fr= 1--      1.0803                -1.1270                -6.9752
 Raman1 Fr= 1--      30.023                 76.067                861.090
 ROA1   Fr= 1--      30.461               -511.175              -1161.804
 CID1   Fr= 1--       1.015                 -6.720                 -1.349
 Raman2 Fr= 1--      12.792                 25.825                140.965
 ROA2   Fr= 1--      -9.670               -109.762               -178.847
 CID2   Fr= 1--      -0.756                 -4.250                 -1.269
 Raman3 Fr= 1--      25.584                 51.650                281.929
 ROA3   Fr= 1--      30.461               -511.175              -1161.804
 CID3   Fr= 1--       1.191                 -9.897                 -4.121
 RC180  Fr= 1--       0.704                  0.358                 -0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.03    -0.02  -0.01   0.00     0.00  -0.00   0.02
     2   6    -0.01  -0.01  -0.01    -0.03  -0.00  -0.00     0.00   0.00  -0.07
     3   6     0.01  -0.01  -0.00    -0.04  -0.02   0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.76   0.30  -0.03    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.00    -0.04  -0.02   0.00     0.00  -0.01   0.03
     6   1    -0.04   0.04   0.03     0.02   0.03  -0.00     0.00   0.00  -0.00
     7   1    -0.02   0.02  -0.06     0.10   0.11  -0.01    -0.01   0.01   0.01
     8   8     0.00   0.00  -0.00    -0.49  -0.20   0.02     0.00  -0.00  -0.00
     9   1     0.02  -0.04   0.07     0.15  -0.01  -0.00     0.01   0.01   0.02
    10   1    -0.03  -0.09  -0.03     0.02  -0.01   0.00    -0.06   0.11  -0.33
    11   1     0.21   0.15   0.55    -0.02  -0.02   0.01     0.01   0.01  -0.00
    12   1     0.33   0.51  -0.11     0.03   0.01  -0.01    -0.04  -0.01  -0.20
    13   6     0.01  -0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00   0.01
    14   1    -0.00   0.02  -0.01     0.04   0.01   0.00    -0.01  -0.05   0.90
    15   1     0.21   0.02  -0.02    -0.00  -0.00   0.00    -0.00   0.01  -0.10
    16   1    -0.08   0.18   0.25    -0.00   0.00   0.00     0.02   0.03  -0.01
    17   1    -0.19  -0.13   0.14    -0.00  -0.00   0.00     0.01  -0.04  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3015.0734              3022.2460              3027.8181
 Red. masses --      1.0698                 1.0426                 1.0652
 Frc consts  --      5.7302                 5.6107                 5.7537
 IR Inten    --     12.0131                16.1487                20.5116
 RamAct Fr= 1--     18.4656                61.4009               319.2115
  Dep-P Fr= 1--      0.5047                 0.0595                 0.0206
  Dep-U Fr= 1--      0.6708                 0.1122                 0.0404
 Alpha2 Fr= 1--      0.0892                 1.1858                 6.7595
 Beta2  Fr= 1--      2.0645                 1.1486                 2.1474
 AlphaG Fr= 1--      0.1700                -0.0030                 1.3148
 Gamma2 Fr= 1--     13.5721                -0.9389                -9.7097
 Delta2 Fr= 1--     12.0076                 0.2922                -1.1146
 Raman1 Fr= 1--      73.862                245.604               1276.846
 ROA1   Fr= 1--    1687.160                -80.787               -967.799
 CID1   Fr= 1--      22.842                 -0.329                 -0.758
 Raman2 Fr= 1--      24.774                 13.783                 25.769
 ROA2   Fr= 1--     229.669                -24.872               -224.116
 CID2   Fr= 1--       9.270                 -1.804                 -8.697
 Raman3 Fr= 1--      49.549                 27.567                 51.538
 ROA3   Fr= 1--    1687.160                -80.787               -967.799
 CID3   Fr= 1--      34.050                 -2.931                -18.778
 RC180  Fr= 1--       0.342                 -0.776                 -0.919
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.01   0.01   0.03    -0.02  -0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.00  -0.00   0.01     0.00   0.00  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.02   0.04
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01   0.04  -0.06     0.00  -0.00   0.00    -0.00   0.01  -0.01
     6   1     0.01  -0.02   0.05     0.03  -0.05   0.14    -0.11   0.17  -0.50
     7   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.05   0.04   0.07
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.02  -0.17  -0.15     0.00   0.01   0.01    -0.01  -0.05  -0.04
    10   1     0.13  -0.27   0.82    -0.00   0.00  -0.01     0.03  -0.07   0.20
    11   1    -0.02  -0.04   0.03    -0.06  -0.09   0.06     0.07   0.13  -0.09
    12   1    -0.05  -0.01  -0.28    -0.07  -0.01  -0.39     0.11   0.03   0.61
    13   6     0.00  -0.00   0.01    -0.04   0.01  -0.02    -0.02   0.00  -0.01
    14   1    -0.00  -0.02   0.27    -0.00   0.00  -0.06    -0.00  -0.01   0.22
    15   1     0.00   0.01  -0.11    -0.00  -0.04   0.61     0.00  -0.02   0.24
    16   1    -0.02  -0.02   0.01     0.31   0.34  -0.14     0.17   0.19  -0.07
    17   1    -0.01   0.04   0.02     0.12  -0.39  -0.18     0.07  -0.22  -0.10
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3033.7885              3081.9646              3088.8540
 Red. masses --      1.0647                 1.1002                 1.0966
 Frc consts  --      5.7735                 6.1571                 6.1645
 IR Inten    --     38.6328                20.2723                52.7275
 RamAct Fr= 1--     27.4709                30.0796               149.8400
  Dep-P Fr= 1--      0.6643                 0.7453                 0.3367
  Dep-U Fr= 1--      0.7983                 0.8541                 0.5037
 Alpha2 Fr= 1--      0.0419                 0.0024                 1.3729
 Beta2  Fr= 1--      3.6548                 4.2817                12.5799
 AlphaG Fr= 1--      0.1231                -0.0259                -1.2372
 Gamma2 Fr= 1--     -2.3536               -14.7712                 6.0750
 Delta2 Fr= 1--     -7.5867                -9.9374                 2.7915
 Raman1 Fr= 1--     109.884                120.319                599.360
 ROA1   Fr= 1--    -468.716              -1736.030                672.528
 CID1   Fr= 1--      -4.266                -14.429                  1.122
 Raman2 Fr= 1--      43.858                 51.380                150.958
 ROA2   Fr= 1--       4.208               -275.010                123.468
 CID2   Fr= 1--       0.096                 -5.352                  0.818
 Raman3 Fr= 1--      87.716                102.761                301.917
 ROA3   Fr= 1--    -468.716              -1736.030                672.528
 CID3   Fr= 1--      -5.344                -16.894                  2.228
 RC180  Fr= 1--       0.597                  0.708                  0.007
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03    -0.01  -0.02   0.02    -0.03  -0.05   0.05
     2   6     0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.00  -0.00   0.01
     3   6    -0.03   0.03  -0.04     0.00  -0.00   0.00     0.01  -0.01  -0.01
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.01  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     6   1     0.16  -0.24   0.71    -0.01   0.01  -0.03    -0.01   0.02  -0.05
     7   1     0.14  -0.14  -0.19    -0.02   0.02   0.03    -0.10   0.10   0.12
     8   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00  -0.03  -0.03    -0.00  -0.05  -0.04     0.01   0.08   0.06
    10   1     0.01  -0.03   0.08    -0.00  -0.00   0.00     0.00  -0.00   0.01
    11   1     0.12   0.21  -0.13     0.16   0.27  -0.15     0.37   0.65  -0.36
    12   1     0.08   0.02   0.45    -0.02  -0.01  -0.08    -0.05  -0.02  -0.26
    13   6    -0.01   0.00   0.00     0.04   0.02  -0.08    -0.02  -0.03   0.02
    14   1    -0.00  -0.01   0.14     0.00  -0.01   0.09     0.00   0.01  -0.11
    15   1     0.00  -0.00   0.05     0.01  -0.05   0.67    -0.01   0.01  -0.20
    16   1     0.05   0.06  -0.02    -0.37  -0.39   0.14     0.23   0.24  -0.09
    17   1     0.02  -0.08  -0.03    -0.07   0.26   0.09    -0.03   0.08   0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3089.5449              3102.4258              3103.9334
 Red. masses --      1.1014                 1.0926                 1.0949
 Frc consts  --      6.1939                 6.1961                 6.2149
 IR Inten    --     18.5267                13.5962                13.9656
 RamAct Fr= 1--     75.3960               114.1821               106.3435
  Dep-P Fr= 1--      0.6392                 0.2812                 0.4192
  Dep-U Fr= 1--      0.7799                 0.4390                 0.5907
 Alpha2 Fr= 1--      0.1511                 1.2378                 0.7345
 Beta2  Fr= 1--      9.7998                 8.3544                10.4702
 AlphaG Fr= 1--     -0.3254                -1.0192                -0.5358
 Gamma2 Fr= 1--     -2.6499                 8.2854                16.7795
 Delta2 Fr= 1--      1.5517                -2.0639                 9.4137
 Raman1 Fr= 1--     301.584                456.728                425.374
 ROA1   Fr= 1--    -204.738                729.356               1912.069
 CID1   Fr= 1--      -0.679                  1.597                  4.495
 Raman2 Fr= 1--     117.598                100.253                125.642
 ROA2   Fr= 1--     -76.012                215.361                327.398
 CID2   Fr= 1--      -0.646                  2.148                  2.606
 Raman3 Fr= 1--     235.195                200.505                251.284
 ROA3   Fr= 1--    -204.738                729.356               1912.069
 CID3   Fr= 1--      -0.871                  3.638                  7.609
 RC180  Fr= 1--       0.560                 -0.122                  0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.01     0.00   0.00  -0.01     0.00   0.01  -0.02
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04  -0.04  -0.07
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.06  -0.06     0.00   0.00   0.00
     6   1     0.00  -0.00   0.01     0.01  -0.01   0.02     0.07  -0.10   0.24
     7   1     0.04  -0.03  -0.04    -0.01   0.01   0.01    -0.51   0.51   0.60
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.00  -0.05  -0.03     0.07   0.78   0.55    -0.00  -0.04  -0.03
    10   1    -0.00   0.00  -0.01     0.03  -0.08   0.20    -0.00  -0.00   0.00
    11   1    -0.09  -0.16   0.09    -0.03  -0.05   0.03    -0.06  -0.11   0.06
    12   1     0.01   0.01   0.08     0.01   0.00   0.03     0.03   0.01   0.13
    13   6    -0.01  -0.08  -0.03     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.06    -0.00  -0.01   0.09    -0.00  -0.00   0.02
    15   1    -0.00  -0.03   0.19     0.00  -0.01   0.07     0.00  -0.00   0.02
    16   1     0.34   0.34  -0.15    -0.03  -0.03   0.01    -0.00  -0.00   0.00
    17   1    -0.23   0.70   0.31    -0.02   0.05   0.02    -0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    98.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   331.66288 924.196891179.12879
           X            0.99943  -0.03343   0.00480
           Y            0.03344   0.99944  -0.00209
           Z           -0.00472   0.00225   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.26115     0.09372     0.07346
 Rotational constants (GHZ):           5.44149     1.95277     1.53057
 Zero-point vibrational energy     390822.0 (Joules/Mol)
                                   93.40870 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    123.68   247.59   347.64   405.47   594.38
          (Kelvin)            664.11   703.94   776.35   842.94  1048.19
                             1169.75  1218.35  1284.83  1350.94  1371.26
                             1440.27  1449.96  1561.95  1654.45  1671.44
                             1688.72  1761.43  1806.29  1826.57  1879.39
                             1902.36  1942.05  1995.36  2038.53  2086.46
                             2091.90  2152.84  2157.78  2165.51  2612.95
                             4313.72  4338.02  4348.34  4356.35  4364.94
                             4434.26  4444.17  4445.17  4463.70  4465.87
 
 Zero-point correction=                           0.148856 (Hartree/Particle)
 Thermal correction to Energy=                    0.155806
 Thermal correction to Enthalpy=                  0.156750
 Thermal correction to Gibbs Free Energy=         0.117972
 Sum of electronic and zero-point Energies=           -309.886564
 Sum of electronic and thermal Energies=              -309.879614
 Sum of electronic and thermal Enthalpies=            -309.878670
 Sum of electronic and thermal Free Energies=         -309.917447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   97.770             26.230             81.615
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.660
 Rotational               0.889              2.981             27.382
 Vibrational             95.992             20.268             14.572
 Vibration     1          0.601              1.959              3.750
 Vibration     2          0.626              1.877              2.413
 Vibration     3          0.658              1.777              1.791
 Vibration     4          0.681              1.707              1.523
 Vibration     5          0.777              1.442              0.916
 Vibration     6          0.819              1.335              0.762
 Vibration     7          0.845              1.274              0.686
 Vibration     8          0.895              1.163              0.566
 Vibration     9          0.943              1.062              0.475
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.545147D-54        -54.263487       -124.946295
 Total V=0       0.160535D+15         14.205569         32.709531
 Vib (Bot)       0.663556D-67        -67.178123       -154.683344
 Vib (Bot)    1  0.239341D+01          0.379017          0.872718
 Vib (Bot)    2  0.117031D+01          0.068300          0.157266
 Vib (Bot)    3  0.810930D+00         -0.091017         -0.209574
 Vib (Bot)    4  0.681569D+00         -0.166490         -0.383358
 Vib (Bot)    5  0.427264D+00         -0.369303         -0.850353
 Vib (Bot)    6  0.368006D+00         -0.434145         -0.999655
 Vib (Bot)    7  0.339106D+00         -0.469665         -1.081443
 Vib (Bot)    8  0.293737D+00         -0.532041         -1.225071
 Vib (Bot)    9  0.258564D+00         -0.587432         -1.352613
 Vib (V=0)       0.195404D+02          1.290933          2.972483
 Vib (V=0)    1  0.294508D+01          0.469097          1.080135
 Vib (V=0)    2  0.177264D+01          0.248621          0.572471
 Vib (V=0)    3  0.145268D+01          0.162171          0.373413
 Vib (V=0)    4  0.134530D+01          0.128820          0.296619
 Vib (V=0)    5  0.115769D+01          0.063592          0.146426
 Vib (V=0)    6  0.112083D+01          0.049539          0.114069
 Vib (V=0)    7  0.110415D+01          0.043027          0.099073
 Vib (V=0)    8  0.107990D+01          0.033383          0.076866
 Vib (V=0)    9  0.106290D+01          0.026492          0.061000
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.381750D+08          7.581779         17.457692
 Rotational      0.215207D+06          5.332857         12.279357
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 3333333332                                               1          11111 11111111111  1  11                                        
 1100000009                                               8          55444 43333222111  0  0099 8 88   7     55 4 4 4    2 2 1       
 0098832219                                               1          00955 18520752765  8  0053 9 41   2     84 8 6 1    8 4 7   8   
 4209248258                                               6          50640 77026054420  6  8139 3 73   9     60 9 2 3    2 2 2   6   
 
 XXXXXXXXXX                                               X          XXXXX XXXXXXXXXXX  X  XXXX X XX   X     XX X X X    X X X   X   
    X XX                                                  X                         X                                                
    X X                                                   X                         X                                                
    X                                                     X                         X                                                
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                                                          X                                                                          
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                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007445    0.000005124   -0.000000213
      2        6          -0.000000856   -0.000063105   -0.000010563
      3        6          -0.000009791    0.000018613    0.000004756
      4        6           0.000014744   -0.000002382   -0.000007730
      5        6          -0.000004478    0.000013509    0.000009179
      6        1           0.000001435   -0.000000762    0.000002438
      7        1          -0.000002099   -0.000002148    0.000002827
      8        8          -0.000000773   -0.000002159   -0.000001080
      9        1           0.000002619    0.000001002   -0.000003367
     10        1           0.000002731    0.000003498   -0.000001570
     11        1          -0.000004277    0.000003381    0.000003465
     12        1          -0.000002748    0.000009876    0.000004963
     13        6           0.000001156    0.000004970    0.000003764
     14        1           0.000005025    0.000001037   -0.000000318
     15        1          -0.000004602    0.000002223   -0.000004485
     16        1          -0.000006729    0.000004905    0.000000035
     17        1           0.000001197    0.000002417   -0.000002102
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000063105 RMS     0.000010525
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.874656D+02  0.253081D-01  0.320785D+00
      2   0.253081D-01  0.757022D+02 -0.503874D+00
      3   0.320785D+00 -0.503874D+00  0.614597D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.208671D+01 -0.790358D+00 -0.404349D+01
      2   0.369582D+00  0.312622D+00  0.203446D+02
      3   0.634177D+01 -0.130584D+02 -0.698610D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.333644D+02 -0.205557D+02 -0.443581D+00
      2  -0.174951D+02  0.192135D+02 -0.476787D+01
      3  -0.158693D+02  0.134213D+01  0.521145D+01
      4  -0.102157D+02  0.260890D+02  0.169429D+01
      5   0.370171D+01 -0.105968D+00  0.450489D+02
      6  -0.144112D+01 -0.387542D+01  0.967757D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.252377D+01 -0.123516D+01  0.919616D+00 -0.193037D+00 -0.441085D+01
      2  -0.123516D+01 -0.346554D+01  0.821179D-01 -0.441085D+01 -0.743725D+00
      3   0.919616D+00  0.821179D-01 -0.179234D+01  0.215128D+00  0.233254D+01
                 6             7             8             9            10 
      1   0.215128D+00  0.160733D+01  0.517293D+00 -0.222287D+01 -0.997246D+00
      2   0.233254D+01  0.517293D+00  0.327236D+01 -0.105641D+01  0.240900D+01
      3  -0.590858D+00 -0.222287D+01 -0.105641D+01 -0.676683D+01 -0.106519D+01
                11            12            13            14            15 
      1   0.240900D+01 -0.106519D+01  0.218091D+01  0.299534D+01  0.293378D+00
      2   0.358068D+01  0.278110D+00  0.299534D+01 -0.293944D+01 -0.145278D+01
      3   0.278110D+00  0.571342D-01  0.293378D+00 -0.145278D+01 -0.906274D+00
                16            17            18            19            20 
      1  -0.211820D+01  0.323465D+00  0.703728D+00 -0.133553D+01 -0.191773D+01
      2   0.323465D+00 -0.174330D+01 -0.970904D+00 -0.191773D+01  0.469221D+01
      3   0.703728D+00 -0.970904D+00  0.100795D+02 -0.111962D+01  0.562764D+00
                21            22            23            24            25 
      1  -0.111962D+01 -0.182352D+01  0.247947D+01  0.751998D+00 -0.114146D+01
      2   0.562764D+00  0.247947D+01  0.128539D+01 -0.733776D+00  0.170556D+01
      3   0.236267D+01  0.751998D+00 -0.733776D+00 -0.229149D+01  0.264931D+01
                26            27            28            29            30 
      1   0.170556D+01  0.264931D+01  0.496761D+01  0.523347D+01  0.537260D-01
      2   0.238479D-01 -0.341824D+01  0.523347D+01 -0.336345D+01 -0.311326D+00
      3  -0.341824D+01  0.359167D+01  0.537260D-01 -0.311326D+00 -0.147167D+00
                31            32            33            34            35 
      1   0.361291D+01  0.119766D+00 -0.551620D+00  0.769878D+00 -0.966837D+00
      2   0.119766D+00 -0.311160D+01 -0.284985D+00 -0.966837D+00 -0.468042D+00
      3  -0.551620D+00 -0.284985D+00  0.814067D-01 -0.206015D+00  0.642187D-01
                36            37            38            39            40 
      1  -0.206015D+00  0.412708D+00 -0.341479D+01  0.426993D-01 -0.237429D+01
      2   0.642187D-01 -0.341479D+01  0.135649D+01  0.567699D+00 -0.579215D+00
      3  -0.550284D-02  0.426993D-01  0.567699D+00 -0.269779D+00  0.462448D+00
                41            42            43            44            45 
      1  -0.579215D+00  0.462448D+00 -0.118050D+01  0.140649D+01 -0.867029D+00
      2   0.568656D+01  0.166446D+01  0.140649D+01  0.250705D+01  0.356659D+01
      3   0.166446D+01  0.292841D+01 -0.867029D+00  0.356659D+01 -0.433710D+01
                46            47            48            49            50 
      1  -0.854244D+00  0.118512D+01 -0.135016D+01  0.809998D+00 -0.868666D+00
      2   0.118512D+01 -0.161422D+01  0.658821D+00 -0.868666D+00  0.221564D+01
      3  -0.135016D+01  0.658821D+00 -0.128601D+01  0.371413D+00 -0.164139D+01
                51            52            53            54            55 
      1   0.371413D+00 -0.224239D+01  0.637334D+00 -0.202612D+01 -0.391170D+01
      2  -0.164139D+01  0.637334D+00 -0.316605D+01  0.324505D+01  0.264409D+01
      3   0.182572D+01 -0.202612D+01  0.324505D+01 -0.640269D+01  0.172870D+01
                56            57            58            59            60 
      1   0.264409D+01  0.172870D+01  0.211065D+01 -0.220030D+01 -0.803641D+00
      2  -0.337892D+01 -0.108847D+01 -0.220030D+01  0.410540D+01  0.167864D+01
      3  -0.108847D+01 -0.149243D+01 -0.803641D+00  0.167864D+01  0.155423D+01
                61            62            63            64            65 
      1   0.271024D+01 -0.175699D+01 -0.192920D+01 -0.152426D+02 -0.454875D+01
      2  -0.175699D+01  0.267276D+01  0.251392D+01 -0.454875D+01 -0.164617D+01
      3  -0.192920D+01  0.251392D+01  0.219221D+01  0.360801D+00  0.537594D-01
                66            67            68            69            70 
      1   0.360801D+00 -0.350920D+01 -0.424161D+01  0.115154D+00 -0.732222D-01
      2   0.537594D-01 -0.424161D+01 -0.274656D+01  0.130848D+00  0.286216D+00
      3  -0.184983D+01  0.115154D+00  0.130848D+00 -0.766289D+00 -0.367064D+01
                71            72            73            74            75 
      1   0.286216D+00 -0.367064D+01 -0.277878D+00 -0.832970D+00 -0.705411D+00
      2   0.205431D+00 -0.140639D+01 -0.832970D+00 -0.102706D+01 -0.315457D+00
      3  -0.140639D+01  0.315785D+00 -0.705411D+00 -0.315457D+00 -0.766176D-01
                76            77            78            79            80 
      1  -0.145170D+01 -0.672990D-01 -0.529153D-01 -0.818952D+00 -0.300089D+00
      2  -0.672990D-01 -0.787617D+01 -0.243334D+01 -0.300089D+00 -0.394898D+01
      3  -0.529153D-01 -0.243334D+01 -0.195158D+01  0.189773D+00 -0.269342D+01
                81            82            83            84            85 
      1   0.189773D+00  0.990112D+00 -0.125001D+00  0.108752D+01 -0.172531D+00
      2  -0.269342D+01 -0.125001D+00  0.100263D+00 -0.275446D+00  0.605706D+00
      3  -0.179809D+01  0.108752D+01 -0.275446D+00  0.782473D+00 -0.305142D+00
                86            87            88            89            90 
      1   0.605706D+00 -0.305142D+00  0.272930D+01 -0.584231D+00  0.870722D+00
      2  -0.255737D+01  0.156360D+01 -0.584231D+00  0.263634D+01 -0.311461D+01
      3   0.156360D+01 -0.165733D+01  0.870722D+00 -0.311461D+01  0.627613D+01
                91            92            93            94            95 
      1   0.261298D+01  0.257893D+01 -0.838510D+00  0.230161D+01  0.297688D+01
      2   0.257893D+01  0.339237D+01 -0.526008D+00  0.297688D+01  0.687897D+01
      3  -0.838510D+00 -0.526008D+00  0.867507D+00 -0.532580D+00 -0.156664D+01
                96            97            98            99           100 
      1  -0.532580D+00 -0.161586D+01 -0.106615D+01  0.113402D+01  0.416716D+00
      2  -0.156664D+01 -0.106615D+01 -0.276265D+01  0.167514D+01  0.325960D+00
      3   0.120530D+01  0.113402D+01  0.167514D+01 -0.575558D+00  0.123034D+01
               101           102           103           104           105 
      1   0.325960D+00  0.123034D+01  0.106972D+00  0.840805D+00  0.109772D+00
      2   0.682286D+00  0.405965D+00  0.840805D+00  0.747580D+00  0.889924D+00
      3   0.405965D+00  0.122099D+01  0.109772D+00  0.889924D+00  0.246456D+00
               106           107           108           109           110 
      1   0.213081D+01  0.797307D-01  0.168160D+01  0.179564D+00 -0.318749D+01
      2   0.797307D-01  0.154484D+01  0.193322D+01 -0.318749D+01 -0.372537D+01
      3   0.168160D+01  0.193322D+01  0.778193D+01  0.217448D+01 -0.163198D+00
               111           112           113           114           115 
      1   0.217448D+01 -0.362942D+01 -0.496098D+01 -0.150920D+00  0.274496D+01
      2  -0.163198D+00 -0.496098D+01  0.318901D+01  0.276682D+01 -0.355927D+00
      3  -0.523218D+00 -0.150920D+00  0.276682D+01  0.973157D+00 -0.144856D+01
               116           117           118           119           120 
      1  -0.355927D+00 -0.144856D+01  0.804026D+00 -0.288497D+00 -0.123975D+01
      2   0.276365D+01  0.119394D+01 -0.288497D+00 -0.232694D+00 -0.211204D-01
      3   0.119394D+01 -0.701590D+01 -0.123975D+01 -0.211204D-01  0.325354D+00
               121           122           123           124           125 
      1  -0.414521D+00 -0.261193D+00  0.494874D-02 -0.177394D+01 -0.248245D-01
      2  -0.261193D+00  0.472221D+00 -0.941025D+00 -0.248245D-01 -0.127415D+01
      3   0.494874D-02 -0.941025D+00  0.526450D+00  0.702928D+00  0.259905D+00
               126           127           128           129           130 
      1   0.702928D+00  0.988737D-01  0.198470D+00  0.799555D+00  0.189769D+00
      2   0.259905D+00  0.198470D+00  0.234355D+00 -0.127898D-01  0.827135D+00
      3  -0.100576D+02  0.799555D+00 -0.127898D-01  0.183794D+00 -0.979395D-01
               131           132           133           134           135 
      1   0.827135D+00 -0.979395D-01  0.251868D+01 -0.394372D+00  0.192803D+01
      2  -0.684853D+00  0.733796D+00 -0.394372D+00  0.115505D+01 -0.874869D+00
      3   0.733796D+00 -0.513935D+00  0.192803D+01 -0.874869D+00  0.783850D+01
               136           137           138           139           140 
      1   0.717079D+01  0.268276D+01 -0.117858D+01  0.538793D+01  0.307917D+01
      2   0.268276D+01  0.225456D+01 -0.442787D+00  0.307917D+01  0.279274D+01
      3  -0.117858D+01 -0.442787D+00  0.106616D+01 -0.560647D+00 -0.900510D+00
               141           142           143           144           145 
      1  -0.560647D+00 -0.229676D+01 -0.535951D+00  0.140929D+01  0.244202D+01
      2  -0.900510D+00 -0.535951D+00 -0.116424D+01  0.611619D+00 -0.170740D+01
      3   0.941059D+00  0.140929D+01  0.611619D+00 -0.348945D+00 -0.900217D+00
               146           147           148           149           150 
      1  -0.170740D+01 -0.900217D+00 -0.313254D+01  0.366583D+01  0.731165D+00
      2   0.216020D+01  0.547365D+00  0.366583D+01 -0.671380D+01 -0.180618D+01
      3   0.547365D+00  0.571299D+00  0.731165D+00 -0.180618D+01 -0.160443D+01
               151           152           153 
      1  -0.194991D+01  0.102928D+01  0.110103D+01
      2   0.102928D+01 -0.225391D+01 -0.152878D+01
      3   0.110103D+01 -0.152878D+01 -0.767562D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.213981D+01 -0.107045D+01  0.205051D+01  0.623940D-01 -0.575992D+01
      2   0.141803D+01  0.260061D+01  0.589470D+00  0.294239D+01  0.340052D+01
      3   0.108088D+02 -0.448796D+00  0.133309D+01  0.690013D+01 -0.531540D+01
                 6             7             8             9            10 
      1  -0.901199D+00  0.145904D+01  0.614245D+01  0.817924D+01  0.917166D+00
      2  -0.907559D+00 -0.629864D+01 -0.302408D+01 -0.390350D+01 -0.420071D+01
      3  -0.143502D+01  0.110728D+01 -0.277005D+01 -0.249552D+01 -0.616104D+01
                11            12            13            14            15 
      1  -0.427878D+00 -0.273183D+00 -0.220292D+01  0.640561D+00 -0.213031D+01
      2   0.118107D+01  0.255201D+01  0.196185D+00 -0.140177D+01 -0.891651D+00
      3  -0.931518D+01 -0.192925D+00 -0.248505D+01  0.369755D+01  0.280344D+01
                16            17            18            19            20 
      1   0.872050D+00  0.453536D+01  0.864025D+00  0.478396D+01 -0.246222D+01
      2  -0.557137D+01  0.682613D+00  0.106808D+02  0.240250D+01 -0.212482D+01
      3  -0.127445D+01  0.284901D+01  0.148397D+01 -0.115031D+02  0.337602D+01
                21            22            23            24            25 
      1  -0.494144D+01 -0.208350D+01  0.260570D+01 -0.116962D+01 -0.193232D+01
      2  -0.203585D+01 -0.247402D+01  0.174626D+01  0.442597D+01 -0.701418D+01
      3  -0.173921D+01  0.705477D+01  0.389082D+01  0.987040D+00 -0.157387D+01
                26            27            28            29            30 
      1   0.106564D+02 -0.544538D+01 -0.649053D+01 -0.397563D+00  0.236389D+01
      2   0.649085D+01 -0.461901D+01 -0.225525D+01 -0.169694D+01 -0.899910D+01
      3   0.272778D+01 -0.797824D+00  0.498913D+01 -0.309980D+01  0.148717D+00
                31            32            33            34            35 
      1  -0.253464D+01 -0.586803D+00  0.407848D+01 -0.470361D+01  0.222664D+02
      2  -0.837074D+00 -0.741638D+00 -0.240578D+01 -0.150481D+02  0.391456D+01
      3   0.207671D+01 -0.127032D+01 -0.227897D+00 -0.500565D+00 -0.988199D+00
                36            37            38            39            40 
      1  -0.387987D+00  0.974570D+00  0.206756D+01  0.111090D+01  0.252625D+01
      2   0.651668D+00 -0.777325D-01  0.396206D+00  0.408742D+01 -0.134398D+00
      3  -0.252287D+00 -0.332443D+01  0.260036D+01 -0.493239D-01  0.886344D+01
                41            42            43            44            45 
      1   0.722745D+01  0.191400D+01 -0.492233D+01  0.827998D+01 -0.625098D+01
      2   0.348831D+00 -0.203330D+01 -0.487032D+01 -0.669697D+00 -0.201718D+00
      3   0.580339D+01 -0.189603D+01  0.156039D+01 -0.343619D+01  0.205501D+01
                46            47            48            49            50 
      1   0.110815D+01 -0.269810D+01  0.298317D+01 -0.217243D+01  0.680893D+00
      2   0.172734D+01 -0.899218D+00  0.292711D+01 -0.508752D+00  0.186000D+01
      3   0.117208D+01 -0.134247D+01 -0.917322D+00  0.188413D+01  0.631659D+00
                51            52            53            54            55 
      1  -0.329381D+01  0.322125D+01 -0.543126D+01  0.108764D+02 -0.253913D+01
      2  -0.239551D+01  0.665107D+00 -0.532419D+01  0.888465D+01 -0.211777D+01
      3  -0.102273D+01 -0.308516D+01 -0.319563D+01  0.749095D+00 -0.265300D+01
                56            57            58            59            60 
      1   0.469918D+01  0.340850D+01  0.280557D+01 -0.329423D+01 -0.399170D+01
      2   0.273744D+01  0.365226D+01  0.127846D+01 -0.327322D+01 -0.291100D+01
      3  -0.263437D+01  0.103372D+01  0.291473D+01  0.122834D+01  0.327084D+00
                61            62            63            64            65 
      1   0.384258D+01 -0.417275D+01 -0.461908D+01  0.352065D+01 -0.215691D+00
      2   0.159921D+01 -0.422706D+01 -0.374855D+01  0.652446D+00  0.156398D+00
      3   0.291466D+01  0.168901D+01  0.112994D+00  0.186860D+01 -0.138454D+02
                66            67            68            69            70 
      1  -0.345480D+01  0.825983D+00  0.790990D+00 -0.366770D+01  0.187201D+01
      2   0.136163D+02  0.873542D+00  0.470922D+00  0.456517D+01  0.507353D+01
      3   0.308782D+00 -0.170261D+01 -0.739425D+01  0.339883D+00  0.136771D+01
                71            72            73            74            75 
      1  -0.490972D+01  0.552158D+00  0.875082D+00 -0.999024D+00 -0.379682D+00
      2  -0.430703D+00 -0.654922D+00  0.114722D+01 -0.513715D+00  0.561476D+00
      3   0.118252D+01 -0.843136D+00  0.589094D+00 -0.160964D+01  0.420603D+00
                76            77            78            79            80 
      1   0.163975D+01 -0.596452D+01 -0.552977D+01  0.739592D+00 -0.428237D+01
      2   0.613390D-01 -0.689253D+00  0.217454D+00 -0.158154D+01 -0.196108D+00
      3   0.446719D+01 -0.374582D+00  0.116882D+00  0.244192D+01  0.317588D+00
                81            82            83            84            85 
      1  -0.391240D+01 -0.505736D+00  0.240538D+00  0.365051D+00 -0.983137D-01
      2   0.528610D-01 -0.236535D+01  0.194322D+00  0.581670D+00  0.750237D-01
      3  -0.416804D+00 -0.172864D+01 -0.175244D+01 -0.645410D+00  0.115744D+01
                86            87            88            89            90 
      1   0.225553D+01 -0.401613D+01  0.392018D+01 -0.467995D+01  0.108164D+02
      2  -0.375439D-01  0.310969D+00 -0.179962D+01 -0.482592D+00 -0.395022D+00
      3  -0.985225D+00  0.633568D+00 -0.426810D+01  0.115386D+01 -0.166634D+01
                91            92            93            94            95 
      1   0.120633D+01  0.857826D+00 -0.216739D+01  0.109178D+01  0.263036D+01
      2  -0.110708D+01 -0.129157D+01  0.183718D+01 -0.106085D+01 -0.245643D+01
      3   0.307756D+01 -0.389792D+00 -0.976003D+00  0.456886D+01 -0.102375D+01
                96            97            98            99           100 
      1  -0.397215D+01 -0.158926D+01 -0.131121D+01  0.154619D+01 -0.134326D+01
      2   0.203998D+01  0.248312D+00  0.202037D+01 -0.127093D+01  0.243798D-01
      3   0.189449D+00 -0.272631D+01  0.138099D+01  0.628633D+00  0.115952D+00
               101           102           103           104           105 
      1   0.843628D+00 -0.189808D+01 -0.394091D-01 -0.982893D+00 -0.146653D+01
      2  -0.666407D-02  0.152792D+01 -0.759438D-01 -0.150774D+00  0.494056D-01
      3  -0.161115D+01  0.155636D+01  0.234792D+00  0.102997D+01 -0.352271D+00
               106           107           108           109           110 
      1  -0.259599D+01  0.572175D+00 -0.113983D+02 -0.401994D+00 -0.119825D+01
      2  -0.251911D+01  0.140280D+01  0.474428D+01  0.902796D+01 -0.392042D+00
      3   0.372067D+01 -0.155480D+01  0.153821D+01  0.999357D+01  0.112211D+02
               111           112           113           114           115 
      1  -0.147811D+00 -0.145836D+01  0.240120D+01 -0.415468D+00 -0.199747D+01
      2  -0.591549D+00 -0.224429D+00  0.860128D+01  0.246321D+01 -0.819529D+01
      3  -0.834872D+00  0.213428D+02 -0.744442D+01 -0.810289D+01 -0.263014D+00
               116           117           118           119           120 
      1   0.305190D+01 -0.334880D+01  0.109313D+00  0.343785D+00  0.301069D+00
      2   0.367187D+01 -0.181360D+02 -0.592025D+00 -0.472420D+00  0.108476D+01
      3  -0.836736D+01 -0.263329D+01  0.102088D+01 -0.411048D+00  0.177879D+00
               121           122           123           124           125 
      1   0.708774D+00 -0.673394D+00 -0.248748D+00 -0.194003D+00  0.342451D+01
      2   0.213697D+00 -0.134943D+01  0.424154D+00 -0.356558D+01  0.445990D+00
      3   0.230525D+01 -0.966106D+00  0.144299D+01 -0.949621D-01  0.188162D+01
               126           127           128           129           130 
      1  -0.993810D+00  0.597691D+00 -0.448008D-01  0.293137D+00  0.328899D-01
      2  -0.107395D+02  0.229625D+01 -0.214205D+00  0.192798D+01 -0.111451D+00
      3  -0.435978D+00 -0.436956D+00 -0.147338D+01 -0.278864D+00 -0.103184D+01
               131           132           133           134           135 
      1   0.766667D-01 -0.100649D+01  0.776182D+00  0.281602D+01  0.417202D+01
      2   0.155549D+01 -0.162146D+01  0.104889D+01 -0.216835D+01  0.218218D+02
      3   0.125545D+01 -0.158511D+01 -0.489100D+00 -0.339753D+01  0.160241D+01
               136           137           138           139           140 
      1   0.119634D+00 -0.514575D-01 -0.585240D+00  0.188866D-01 -0.427950D+00
      2  -0.339689D+01 -0.158497D+01  0.486057D+01 -0.173895D+01 -0.279977D+01
      3  -0.108795D+02 -0.103917D+02  0.199024D+01 -0.901843D+01 -0.106360D+02
               141           142           143           144           145 
      1  -0.126035D+01  0.452295D+00  0.112022D+01  0.157464D+00 -0.792077D+00
      2   0.413981D+01  0.274961D+01  0.180378D+01 -0.115560D+01 -0.242285D+01
      3   0.301742D+01  0.224666D+01  0.413307D+01 -0.208981D+01  0.303835D+01
               146           147           148           149           150 
      1   0.512915D+00  0.971396D+00  0.716833D+00 -0.136759D+01 -0.365202D+01
      2   0.167848D+01  0.254989D+01  0.152525D+01 -0.508348D+01 -0.546987D+01
      3  -0.672296D+01 -0.108346D+01 -0.580075D+01  0.178852D+02  0.492432D+01
               151           152           153 
      1   0.792416D+00 -0.227476D+00 -0.105917D+01
      2   0.134752D+01 -0.392231D+01 -0.217137D+01
      3  -0.108377D+01  0.639432D+01  0.346066D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.300831D+01  0.648515D+01  0.208639D+01  0.388663D+01 -0.382613D+01
      2  -0.258103D+01 -0.135343D+02  0.184951D+01 -0.116728D+02 -0.551225D+01
      3  -0.427274D+00  0.704917D+01 -0.393590D+01  0.778619D+01  0.933838D+01
      4  -0.188405D+00 -0.110691D+02  0.193209D+01 -0.109485D+02 -0.117305D+02
      5   0.288114D+01  0.352995D+01 -0.294573D+01  0.318031D+01  0.440146D+01
      6   0.369722D+01  0.205989D+01 -0.536472D+01  0.302493D+01  0.117021D+02
                 6             7             8             9            10 
      1  -0.329724D+01  0.281158D+01 -0.282219D+01  0.622738D+01 -0.119310D+02
      2   0.845873D+01  0.365180D+01  0.106815D+02  0.217534D+01  0.403496D+01
      3  -0.516149D+01 -0.646338D+01 -0.785935D+01 -0.840271D+01  0.789607D+01
      4   0.456971D+01  0.205981D+01  0.812988D+01 -0.994470D+01  0.659803D+01
      5  -0.226784D+01 -0.326431D+01 -0.504115D+01 -0.106032D+02 -0.721620D+01
      6  -0.158379D+01 -0.708132D+01 -0.439978D+01 -0.157561D+02 -0.369649D+00
                11            12            13            14            15 
      1   0.575692D+01 -0.351107D+01  0.949973D+01  0.112409D+02  0.156649D+01
      2  -0.438602D+00  0.192110D+01 -0.351514D+01 -0.533941D+01 -0.210606D+01
      3  -0.531832D+01  0.158997D+01 -0.598458D+01 -0.590148D+01  0.539575D+00
      4   0.208420D+01  0.127387D+01  0.819692D+01 -0.470918D+01 -0.204021D+01
      5   0.179847D+01 -0.130407D+01  0.923956D+00 -0.240527D+01 -0.166017D+01
      6  -0.377801D+00  0.779206D+00 -0.140970D+01 -0.608983D+00  0.112719D+01
                16            17            18            19            20 
      1  -0.867570D+01  0.215030D+01  0.908103D+01  0.305385D+00 -0.476548D+01
      2   0.234291D+01 -0.291585D+01  0.993740D+01 -0.212969D+01  0.904751D+01
      3   0.633279D+01  0.765541D+00 -0.190184D+02  0.182430D+01 -0.428203D+01
      4   0.668176D+00 -0.285365D+01 -0.136233D+01  0.512691D+01 -0.145560D+02
      5   0.332712D+01 -0.131875D+01  0.243570D+02  0.333066D+01 -0.532487D+01
      6  -0.320486D+00  0.452851D+01 -0.553762D+00 -0.512068D+01  0.367933D+01
                21            22            23            24            25 
      1   0.222002D+01  0.411513D+01 -0.488508D+01 -0.136091D+01  0.143005D+00
      2   0.229581D+01  0.507510D+00  0.104161D+02 -0.279901D+01  0.323606D+01
      3  -0.451583D+01 -0.462264D+01 -0.553099D+01  0.415992D+01 -0.337906D+01
      4  -0.389367D+01 -0.223817D+01  0.929878D+01  0.190928D+01 -0.611613D+01
      5  -0.718357D+01 -0.491432D+01  0.246510D+01  0.824042D+01 -0.772036D+01
      6   0.884706D+01  0.403459D+01 -0.444928D+01 -0.579583D+01  0.965439D+01
                26            27            28            29            30 
      1  -0.571999D+01  0.789761D+01 -0.447237D+02 -0.824240D+01 -0.282162D+00
      2  -0.281506D+01 -0.424436D+01  0.243063D+02 -0.241851D+00 -0.222258D+00
      3   0.853506D+01 -0.365325D+01  0.204174D+02  0.848425D+01  0.504420D+00
      4  -0.696543D+00  0.176089D+02 -0.250741D+02 -0.149641D+02  0.118314D+01
      5   0.127597D+02 -0.710877D+01  0.197530D+01  0.140421D+01 -0.125360D+02
      6  -0.160401D+02  0.123873D+02 -0.130196D+01 -0.554127D+00 -0.422333D+01
                31            32            33            34            35 
      1  -0.188369D+02 -0.930374D+00  0.165533D+00  0.783759D+00  0.797274D+00
      2   0.121545D+02 -0.379221D+01 -0.563741D+00 -0.108641D+01  0.812474D+00
      3   0.668236D+01  0.472258D+01  0.398208D+00  0.302650D+00 -0.160975D+01
      4  -0.619865D+01 -0.978397D+00  0.186253D+00  0.211347D+01  0.111218D+01
      5   0.216633D+01 -0.124526D+00 -0.382452D+01  0.344909D+01 -0.109529D+01
      6  -0.149167D+01  0.200083D+01 -0.291183D+01 -0.992480D+00  0.470751D+01
                36            37            38            39            40 
      1  -0.935421D+01  0.322997D+01 -0.412831D+00  0.265021D+01 -0.117443D+02
      2  -0.175887D+01  0.192183D+01 -0.278537D+01 -0.230706D+01  0.578597D+01
      3   0.111131D+02 -0.515180D+01  0.319820D+01 -0.343148D+00  0.595829D+01
      4  -0.340318D+01 -0.240548D+00  0.464034D+01 -0.312581D+00 -0.142918D+01
      5   0.183890D+01  0.350804D+00 -0.734067D+00  0.230281D+01 -0.273632D+00
      6  -0.726488D+00  0.192446D+01 -0.282789D+01  0.420783D+00 -0.153309D+01
                41            42            43            44            45 
      1   0.953855D+01  0.126686D+01  0.102444D+02 -0.110164D+01  0.145996D+02
      2  -0.113876D+02 -0.615327D+01 -0.516195D+01 -0.557637D+01 -0.919384D+01
      3   0.184904D+01  0.488641D+01 -0.508247D+01  0.667801D+01 -0.540580D+01
      4  -0.518418D+01 -0.149838D+01  0.253806D+01 -0.196100D+01  0.332844D+01
      5  -0.150748D+01 -0.145041D+01 -0.261754D+01  0.140151D+01 -0.419938D+01
      6  -0.118174D+02 -0.927157D+01  0.546519D+01 -0.159205D+02  0.110032D+02
                46            47            48            49            50 
      1   0.633527D+00  0.355615D+00  0.139008D+01  0.913081D+00 -0.743144D+01
      2  -0.925775D+00 -0.174709D+01 -0.191364D+01 -0.236000D+01  0.779946D+01
      3   0.292248D+00  0.139148D+01  0.523554D+00  0.144692D+01 -0.368021D+00
      4  -0.636938D+01  0.954117D+01 -0.559404D+01  0.526104D+01 -0.847274D+01
      5   0.592467D+01 -0.328987D+01  0.825230D+01 -0.100675D+01  0.424521D+01
      6  -0.484834D+01  0.321142D+01 -0.469763D+01  0.306724D+01 -0.814818D+01
                51            52            53            54            55 
      1   0.529531D+01  0.203689D+01  0.967909D+01 -0.127038D+02  0.782585D+01
      2  -0.456599D+01 -0.325897D+01 -0.548731D+01 -0.194909D+01  0.425484D+00
      3  -0.729321D+00  0.122209D+01 -0.419177D+01  0.146529D+02 -0.825133D+01
      4   0.536863D+01 -0.734613D+01  0.103505D+02 -0.133381D+02 -0.174125D+02
      5  -0.429171D+01  0.913118D+01 -0.974888D+01  0.175159D+02 -0.893736D+01
      6   0.103490D+02 -0.738521D+01  0.167780D+02 -0.234936D+02  0.705146D+01
                56            57            58            59            60 
      1  -0.571746D+00 -0.235957D+01  0.934112D+00 -0.748003D+01 -0.246968D+01
      2  -0.613112D+01 -0.863893D-01 -0.645186D+01  0.152334D+02  0.531693D+01
      3   0.670286D+01  0.244596D+01  0.551774D+01 -0.775340D+01 -0.284725D+01
      4   0.194536D+02  0.786205D+01  0.131165D+02 -0.178816D+02 -0.699162D+01
      5   0.607558D+01  0.798772D+01  0.428697D+01 -0.678194D+01 -0.550020D+01
      6  -0.637061D+01 -0.621588D+01 -0.524502D+01  0.970164D+01  0.874446D+01
                61            62            63            64            65 
      1  -0.242479D+01 -0.354139D+01 -0.431940D+01  0.892501D+02  0.166679D+02
      2   0.156570D-01  0.687753D+01  0.220586D+01 -0.485488D+02 -0.450652D+01
      3   0.240913D+01 -0.333614D+01  0.211353D+01 -0.407013D+02 -0.121614D+02
      4   0.107622D+02 -0.111315D+02 -0.112527D+02  0.380823D+02  0.280414D+02
      5   0.930232D+01 -0.931496D+01 -0.918701D+01 -0.328051D+01 -0.114984D+01
      6  -0.796103D+01  0.131138D+02  0.988741D+01  0.154376D+01  0.443429D+00
                66            67            68            69            70 
      1  -0.134063D+01  0.183431D+02  0.105737D+02  0.627804D-01 -0.199099D+01
      2   0.136211D+01 -0.634903D+01  0.768189D+00 -0.116236D+00  0.214030D+01
      3  -0.214767D-01 -0.119941D+02 -0.113419D+02  0.534560D-01 -0.149304D+00
      4  -0.564100D+00  0.288594D+02  0.204801D+02 -0.305132D+00 -0.680369D+00
      5   0.228884D+02 -0.117092D+01 -0.624849D+00  0.723260D+01  0.247309D+02
      6   0.580727D+01  0.639500D+00 -0.846602D+00  0.651061D+01  0.559808D+01
                71            72            73            74            75 
      1  -0.404347D-01  0.121553D+02  0.429361D+00 -0.182390D+01 -0.808699D+00
      2  -0.121197D+00 -0.105325D+02  0.137191D+01  0.312272D+01  0.703674D+00
      3   0.161632D+00 -0.162282D+01 -0.180127D+01 -0.129883D+01  0.105025D+00
      4  -0.344941D+00  0.882062D+01  0.162200D+01  0.869888D+01  0.269225D+01
      5   0.731013D+01 -0.247020D+01  0.730614D+00  0.173345D+01  0.243573D+01
      6   0.732381D+01  0.221008D-01  0.261582D+01  0.148902D+01  0.524898D+00
                76            77            78            79            80 
      1   0.219911D+01 -0.243084D+02 -0.763130D+01 -0.126634D+01 -0.102329D+02
      2  -0.975637D+00  0.346705D+02  0.973298D+01  0.739199D+00  0.117355D+02
      3  -0.122347D+01 -0.103622D+02 -0.210168D+01  0.527138D+00 -0.150254D+01
      4   0.558788D+01  0.175619D+01  0.901120D+00  0.339878D+01  0.121615D+01
      5   0.135585D+01  0.128610D+01  0.663102D+00  0.220828D+01  0.776058D+00
      6   0.104201D+00  0.161590D+02  0.113207D+02 -0.944552D+00  0.150669D+02
                81            82            83            84            85 
      1  -0.101459D+02 -0.525546D+00 -0.204754D+00 -0.794683D+00  0.263726D+01
      2   0.689176D+01 -0.134718D+01 -0.171937D+00  0.263187D+00 -0.249555D+01
      3   0.325415D+01  0.187273D+01  0.376691D+00  0.531496D+00 -0.141706D+00
      4   0.103221D+00 -0.284984D+01  0.334330D+01 -0.359636D+01  0.229568D+01
      5   0.117114D+01  0.713122D+00 -0.206964D+01  0.460799D+01 -0.752026D+00
      6   0.100811D+02 -0.342122D+01  0.863279D+00 -0.163927D+01  0.116011D+01
                86            87            88            89            90 
      1  -0.107346D+02  0.590723D+01 -0.308867D+01  0.110551D+02 -0.183983D+02
      2   0.102224D+02 -0.432799D+01  0.299015D+00 -0.603051D+01  0.169040D+01
      3   0.512218D+00 -0.157924D+01  0.278965D+01 -0.502461D+01  0.167079D+02
      4  -0.173079D+01  0.102629D+01 -0.545648D+01  0.134769D+01 -0.233707D+01
      5   0.109775D+01 -0.149349D+00  0.436915D+01 -0.135193D+01  0.211264D+01
      6  -0.708410D+01  0.975935D+01 -0.437520D+01  0.149459D+02 -0.209703D+02
                91            92            93            94            95 
      1   0.132756D+01 -0.299360D+01 -0.437156D+00 -0.322951D+01 -0.152767D+02
      2   0.624197D+01  0.113189D+02 -0.159509D+01  0.108548D+02  0.327285D+02
      3  -0.756953D+01 -0.832533D+01  0.203224D+01 -0.762528D+01 -0.174519D+02
      4   0.132388D+02  0.169222D+02 -0.394575D+01  0.156832D+02  0.220965D+02
      5  -0.350537D+01 -0.244906D+01  0.339185D+01 -0.228054D+01 -0.409333D+01
      6  -0.396423D+01 -0.348382D+01  0.384780D+01 -0.331887D+01 -0.931756D+01
                96            97            98            99           100 
      1   0.326185D+01 -0.550345D+00  0.570731D+01 -0.440377D+01  0.363251D+00
      2  -0.667341D+01 -0.201644D+01 -0.100942D+02  0.393835D+01 -0.245224D+01
      3   0.341156D+01  0.256678D+01  0.438688D+01  0.465421D+00  0.208899D+01
      4  -0.491955D+01 -0.644543D+01 -0.842846D+01  0.621983D+01  0.262179D+01
      5   0.303879D+01  0.417469D+01  0.444981D+01 -0.277230D+01  0.398850D+01
      6   0.743468D+01  0.536853D+01  0.983416D+01 -0.511207D+01  0.318292D+01
               101           102           103           104           105 
      1  -0.100094D+01  0.326151D+00 -0.189217D+01 -0.323635D+01 -0.292345D+01
      2   0.219211D+01 -0.214038D+01  0.304998D+01  0.273584D+01  0.254943D+01
      3  -0.119117D+01  0.181423D+01 -0.115781D+01  0.500508D+00  0.374022D+00
      4   0.469650D+01  0.347040D+01  0.305757D+01  0.320829D+01  0.173067D+01
      5   0.127253D+01  0.762273D+01 -0.276544D+00  0.139948D+01  0.811450D-01
      6   0.152539D+01  0.324689D+01  0.104645D+01  0.317276D+01  0.632821D+01
               106           107           108           109           110 
      1   0.473994D+00 -0.587907D+01 -0.149651D+02 -0.157008D+00 -0.196519D+02
      2  -0.356608D+01  0.308726D+01 -0.774184D+01 -0.127983D+01  0.135127D+02
      3   0.309208D+01  0.279180D+01  0.227070D+02  0.143684D+01  0.613920D+01
      4   0.508289D+01  0.368956D+01  0.749210D+01 -0.200425D+02 -0.204373D+02
      5   0.689452D+01  0.365164D+01  0.128619D+02  0.165698D+02 -0.106859D+01
      6   0.559579D+01  0.965693D+01  0.225907D+02 -0.194059D+01  0.297262D+01
               111           112           113           114           115 
      1   0.116364D+02 -0.265838D+02 -0.201206D+02  0.218591D+01  0.152282D+02
      2  -0.439824D+01  0.189876D+02  0.276035D+01 -0.515875D+01 -0.364016D+01
      3  -0.723811D+01  0.759626D+01  0.173602D+02  0.297284D+01 -0.115880D+02
      4  -0.121476D+01 -0.295410D+02  0.176602D+02  0.156436D+02 -0.165857D+01
      5  -0.293001D+01 -0.107767D+01  0.168110D+02  0.452350D+01 -0.729346D+01
      6   0.449844D+00  0.368357D+01 -0.528162D+01 -0.239590D+01  0.181497D+01
               116           117           118           119           120 
      1   0.135486D+01  0.140977D+01  0.342577D+01 -0.113012D+01 -0.285611D+01
      2  -0.516614D+01  0.529815D+01 -0.536257D+01  0.490450D+00  0.156745D+01
      3   0.381128D+01 -0.670792D+01  0.193679D+01  0.639665D+00  0.128866D+01
      4   0.159063D+02  0.559868D+01 -0.978013D+00  0.170600D+01 -0.778670D-01
      5   0.586678D+01 -0.325075D+02 -0.266468D+01 -0.474618D+00  0.782695D+01
      6  -0.313213D+01  0.696346D+01 -0.185193D+00 -0.171984D+00  0.350385D-01
               121           122           123           124           125 
      1  -0.491173D+00 -0.494702D+01  0.838812D+00 -0.402822D+01  0.123406D+01
      2  -0.719080D-01  0.710819D+00  0.633081D+00  0.476587D+01 -0.577027D-01
      3   0.563081D+00  0.423620D+01 -0.147189D+01 -0.737654D+00 -0.117636D+01
      4   0.158027D+01  0.111947D+01 -0.202956D+01  0.900228D+00 -0.230181D+01
      5  -0.486355D+00 -0.258630D+01  0.131640D+01  0.661423D+01  0.662048D+00
      6  -0.389724D+00 -0.388408D+00  0.764162D+01 -0.752681D-01  0.405667D+01
               126           127           128           129           130 
      1  -0.194122D+02  0.210420D+01  0.131098D+01  0.487981D+01  0.206633D+01
      2  -0.183252D+02 -0.300054D+01 -0.843189D+00 -0.336266D+01 -0.181633D+01
      3   0.377373D+02  0.896335D+00 -0.467793D+00 -0.151715D+01 -0.249998D+00
      4   0.130189D+01  0.110897D+01  0.303978D+01 -0.129710D+01  0.615188D+01
      5  -0.229147D+02  0.427306D+01 -0.713922D+00  0.697605D+01 -0.629716D+00
      6   0.100192D+00 -0.112744D+01 -0.602703D+00 -0.576084D+00  0.822575D+00
               131           132           133           134           135 
      1   0.103985D+01  0.672666D+00  0.111793D+02  0.127383D+00 -0.507088D+01
      2  -0.216703D+00 -0.233963D+00 -0.916294D+01  0.213860D+00 -0.135778D+02
      3  -0.823146D+00 -0.438703D+00 -0.201632D+01 -0.341242D+00  0.186487D+02
      4  -0.379776D+01  0.329545D+01 -0.368294D+01  0.599473D+01 -0.428778D+01
      5   0.306883D+01 -0.298561D+01  0.147193D+02 -0.461706D+01  0.411241D+02
      6  -0.124928D+01  0.554189D+01 -0.227472D+01  0.568218D+01 -0.944502D+01
               136           137           138           139           140 
      1   0.480494D+02  0.183113D+02 -0.768935D+01  0.306583D+02  0.152193D+02
      2  -0.251980D+02 -0.981574D+01  0.423177D+01 -0.155150D+02 -0.453859D+01
      3  -0.228514D+02 -0.849559D+01  0.345759D+01 -0.151432D+02 -0.106808D+02
      4   0.177781D+02  0.167251D+02 -0.295803D+01  0.217738D+02  0.188545D+02
      5  -0.875838D+01 -0.323503D+01  0.888056D+01 -0.463256D+01 -0.577667D+01
      6  -0.244465D+00 -0.272924D+00  0.336759D+00 -0.858770D+00 -0.516627D+00
               141           142           143           144           145 
      1  -0.359201D+01 -0.124817D+02 -0.297619D+01  0.584724D+01  0.140054D+02
      2   0.232937D+01  0.719936D+01  0.247987D+01 -0.520438D+01 -0.378724D+01
      3   0.126264D+01  0.528232D+01  0.496320D+00 -0.642857D+00 -0.102182D+02
      4  -0.576038D+01 -0.370526D+01 -0.702335D+01  0.408784D+01 -0.129963D+02
      5   0.721783D+01  0.113341D+02  0.472736D+01 -0.377315D+01 -0.605439D+01
      6   0.211658D+01  0.134662D+01  0.265671D+01 -0.191261D+01  0.250812D+01
               146           147           148           149           150 
      1  -0.805651D+01 -0.468185D+01 -0.124918D+02  0.509616D+01  0.387080D+00
      2   0.514485D+00  0.161724D+01 -0.832575D-01  0.136774D+02  0.300607D+01
      3   0.754203D+01  0.306461D+01  0.125750D+02 -0.187736D+02 -0.339315D+01
      4   0.178361D+02  0.453660D+01  0.262570D+02 -0.399636D+02 -0.107653D+02
      5   0.419145D+01  0.518592D+01  0.558762D+01 -0.108745D+02 -0.101840D+02
      6  -0.158251D+01 -0.157865D+01 -0.301553D+01  0.646786D+01  0.654424D+01
               151           152           153 
      1  -0.860822D+01  0.544384D+00  0.582455D+00
      2   0.328892D+01  0.271221D+01 -0.582601D+00
      3   0.531931D+01 -0.325660D+01  0.145427D-03
      4   0.756771D+01 -0.130057D+02 -0.863575D+01
      5   0.810645D+01 -0.909169D+01 -0.512443D+01
      6  -0.340802D+01  0.684356D+01  0.443061D+01
 Leave Link  716 at Fri Jul 16 13:20:01 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.874656D+02  0.253081D-01  0.320785D+00
      2   0.253081D-01  0.757022D+02 -0.503874D+00
      3   0.320785D+00 -0.503874D+00  0.614597D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.208671D+01 -0.790358D+00 -0.404349D+01
      2   0.369582D+00  0.312622D+00  0.203446D+02
      3   0.634177D+01 -0.130584D+02 -0.698610D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.333644D+02 -0.205557D+02 -0.443581D+00
      2  -0.174951D+02  0.192135D+02 -0.476787D+01
      3  -0.158693D+02  0.134213D+01  0.521145D+01
      4  -0.102157D+02  0.260890D+02  0.169429D+01
      5   0.370171D+01 -0.105968D+00  0.450489D+02
      6  -0.144112D+01 -0.387542D+01  0.967757D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.252377D+01 -0.123516D+01  0.919616D+00 -0.193037D+00 -0.441085D+01
      2  -0.123516D+01 -0.346554D+01  0.821179D-01 -0.441085D+01 -0.743725D+00
      3   0.919616D+00  0.821179D-01 -0.179234D+01  0.215128D+00  0.233254D+01
                 6             7             8             9            10 
      1   0.215128D+00  0.160733D+01  0.517293D+00 -0.222287D+01 -0.997246D+00
      2   0.233254D+01  0.517293D+00  0.327236D+01 -0.105641D+01  0.240900D+01
      3  -0.590858D+00 -0.222287D+01 -0.105641D+01 -0.676683D+01 -0.106519D+01
                11            12            13            14            15 
      1   0.240900D+01 -0.106519D+01  0.218091D+01  0.299534D+01  0.293378D+00
      2   0.358068D+01  0.278110D+00  0.299534D+01 -0.293944D+01 -0.145278D+01
      3   0.278110D+00  0.571342D-01  0.293378D+00 -0.145278D+01 -0.906274D+00
                16            17            18            19            20 
      1  -0.211820D+01  0.323465D+00  0.703728D+00 -0.133553D+01 -0.191773D+01
      2   0.323465D+00 -0.174330D+01 -0.970904D+00 -0.191773D+01  0.469221D+01
      3   0.703728D+00 -0.970904D+00  0.100795D+02 -0.111962D+01  0.562764D+00
                21            22            23            24            25 
      1  -0.111962D+01 -0.182352D+01  0.247947D+01  0.751998D+00 -0.114146D+01
      2   0.562764D+00  0.247947D+01  0.128539D+01 -0.733776D+00  0.170556D+01
      3   0.236267D+01  0.751998D+00 -0.733776D+00 -0.229149D+01  0.264931D+01
                26            27            28            29            30 
      1   0.170556D+01  0.264931D+01  0.496761D+01  0.523347D+01  0.537260D-01
      2   0.238479D-01 -0.341824D+01  0.523347D+01 -0.336345D+01 -0.311326D+00
      3  -0.341824D+01  0.359167D+01  0.537260D-01 -0.311326D+00 -0.147167D+00
                31            32            33            34            35 
      1   0.361291D+01  0.119766D+00 -0.551620D+00  0.769878D+00 -0.966837D+00
      2   0.119766D+00 -0.311160D+01 -0.284985D+00 -0.966837D+00 -0.468042D+00
      3  -0.551620D+00 -0.284985D+00  0.814067D-01 -0.206015D+00  0.642187D-01
                36            37            38            39            40 
      1  -0.206015D+00  0.412708D+00 -0.341479D+01  0.426993D-01 -0.237429D+01
      2   0.642187D-01 -0.341479D+01  0.135649D+01  0.567699D+00 -0.579215D+00
      3  -0.550284D-02  0.426993D-01  0.567699D+00 -0.269779D+00  0.462448D+00
                41            42            43            44            45 
      1  -0.579215D+00  0.462448D+00 -0.118050D+01  0.140649D+01 -0.867029D+00
      2   0.568656D+01  0.166446D+01  0.140649D+01  0.250705D+01  0.356659D+01
      3   0.166446D+01  0.292841D+01 -0.867029D+00  0.356659D+01 -0.433710D+01
                46            47            48            49            50 
      1  -0.854244D+00  0.118512D+01 -0.135016D+01  0.809998D+00 -0.868666D+00
      2   0.118512D+01 -0.161422D+01  0.658821D+00 -0.868666D+00  0.221564D+01
      3  -0.135016D+01  0.658821D+00 -0.128601D+01  0.371413D+00 -0.164139D+01
                51            52            53            54            55 
      1   0.371413D+00 -0.224239D+01  0.637334D+00 -0.202612D+01 -0.391170D+01
      2  -0.164139D+01  0.637334D+00 -0.316605D+01  0.324505D+01  0.264409D+01
      3   0.182572D+01 -0.202612D+01  0.324505D+01 -0.640269D+01  0.172870D+01
                56            57            58            59            60 
      1   0.264409D+01  0.172870D+01  0.211065D+01 -0.220030D+01 -0.803641D+00
      2  -0.337892D+01 -0.108847D+01 -0.220030D+01  0.410540D+01  0.167864D+01
      3  -0.108847D+01 -0.149243D+01 -0.803641D+00  0.167864D+01  0.155423D+01
                61            62            63            64            65 
      1   0.271024D+01 -0.175699D+01 -0.192920D+01 -0.152426D+02 -0.454875D+01
      2  -0.175699D+01  0.267276D+01  0.251392D+01 -0.454875D+01 -0.164617D+01
      3  -0.192920D+01  0.251392D+01  0.219221D+01  0.360801D+00  0.537594D-01
                66            67            68            69            70 
      1   0.360801D+00 -0.350920D+01 -0.424161D+01  0.115154D+00 -0.732222D-01
      2   0.537594D-01 -0.424161D+01 -0.274656D+01  0.130848D+00  0.286216D+00
      3  -0.184983D+01  0.115154D+00  0.130848D+00 -0.766289D+00 -0.367064D+01
                71            72            73            74            75 
      1   0.286216D+00 -0.367064D+01 -0.277878D+00 -0.832970D+00 -0.705411D+00
      2   0.205431D+00 -0.140639D+01 -0.832970D+00 -0.102706D+01 -0.315457D+00
      3  -0.140639D+01  0.315785D+00 -0.705411D+00 -0.315457D+00 -0.766176D-01
                76            77            78            79            80 
      1  -0.145170D+01 -0.672990D-01 -0.529153D-01 -0.818952D+00 -0.300089D+00
      2  -0.672990D-01 -0.787617D+01 -0.243334D+01 -0.300089D+00 -0.394898D+01
      3  -0.529153D-01 -0.243334D+01 -0.195158D+01  0.189773D+00 -0.269342D+01
                81            82            83            84            85 
      1   0.189773D+00  0.990112D+00 -0.125001D+00  0.108752D+01 -0.172531D+00
      2  -0.269342D+01 -0.125001D+00  0.100263D+00 -0.275446D+00  0.605706D+00
      3  -0.179809D+01  0.108752D+01 -0.275446D+00  0.782473D+00 -0.305142D+00
                86            87            88            89            90 
      1   0.605706D+00 -0.305142D+00  0.272930D+01 -0.584231D+00  0.870722D+00
      2  -0.255737D+01  0.156360D+01 -0.584231D+00  0.263634D+01 -0.311461D+01
      3   0.156360D+01 -0.165733D+01  0.870722D+00 -0.311461D+01  0.627613D+01
                91            92            93            94            95 
      1   0.261298D+01  0.257893D+01 -0.838510D+00  0.230161D+01  0.297688D+01
      2   0.257893D+01  0.339237D+01 -0.526008D+00  0.297688D+01  0.687897D+01
      3  -0.838510D+00 -0.526008D+00  0.867507D+00 -0.532580D+00 -0.156664D+01
                96            97            98            99           100 
      1  -0.532580D+00 -0.161586D+01 -0.106615D+01  0.113402D+01  0.416716D+00
      2  -0.156664D+01 -0.106615D+01 -0.276265D+01  0.167514D+01  0.325960D+00
      3   0.120530D+01  0.113402D+01  0.167514D+01 -0.575558D+00  0.123034D+01
               101           102           103           104           105 
      1   0.325960D+00  0.123034D+01  0.106972D+00  0.840805D+00  0.109772D+00
      2   0.682286D+00  0.405965D+00  0.840805D+00  0.747580D+00  0.889924D+00
      3   0.405965D+00  0.122099D+01  0.109772D+00  0.889924D+00  0.246456D+00
               106           107           108           109           110 
      1   0.213081D+01  0.797307D-01  0.168160D+01  0.179564D+00 -0.318749D+01
      2   0.797307D-01  0.154484D+01  0.193322D+01 -0.318749D+01 -0.372537D+01
      3   0.168160D+01  0.193322D+01  0.778193D+01  0.217448D+01 -0.163198D+00
               111           112           113           114           115 
      1   0.217448D+01 -0.362942D+01 -0.496098D+01 -0.150920D+00  0.274496D+01
      2  -0.163198D+00 -0.496098D+01  0.318901D+01  0.276682D+01 -0.355927D+00
      3  -0.523218D+00 -0.150920D+00  0.276682D+01  0.973157D+00 -0.144856D+01
               116           117           118           119           120 
      1  -0.355927D+00 -0.144856D+01  0.804026D+00 -0.288497D+00 -0.123975D+01
      2   0.276365D+01  0.119394D+01 -0.288497D+00 -0.232694D+00 -0.211204D-01
      3   0.119394D+01 -0.701590D+01 -0.123975D+01 -0.211204D-01  0.325354D+00
               121           122           123           124           125 
      1  -0.414521D+00 -0.261193D+00  0.494874D-02 -0.177394D+01 -0.248245D-01
      2  -0.261193D+00  0.472221D+00 -0.941025D+00 -0.248245D-01 -0.127415D+01
      3   0.494874D-02 -0.941025D+00  0.526450D+00  0.702928D+00  0.259905D+00
               126           127           128           129           130 
      1   0.702928D+00  0.988737D-01  0.198470D+00  0.799555D+00  0.189769D+00
      2   0.259905D+00  0.198470D+00  0.234355D+00 -0.127898D-01  0.827135D+00
      3  -0.100576D+02  0.799555D+00 -0.127898D-01  0.183794D+00 -0.979395D-01
               131           132           133           134           135 
      1   0.827135D+00 -0.979395D-01  0.251868D+01 -0.394372D+00  0.192803D+01
      2  -0.684853D+00  0.733796D+00 -0.394372D+00  0.115505D+01 -0.874869D+00
      3   0.733796D+00 -0.513935D+00  0.192803D+01 -0.874869D+00  0.783850D+01
               136           137           138           139           140 
      1   0.717079D+01  0.268276D+01 -0.117858D+01  0.538793D+01  0.307917D+01
      2   0.268276D+01  0.225456D+01 -0.442787D+00  0.307917D+01  0.279274D+01
      3  -0.117858D+01 -0.442787D+00  0.106616D+01 -0.560647D+00 -0.900510D+00
               141           142           143           144           145 
      1  -0.560647D+00 -0.229676D+01 -0.535951D+00  0.140929D+01  0.244202D+01
      2  -0.900510D+00 -0.535951D+00 -0.116424D+01  0.611619D+00 -0.170740D+01
      3   0.941059D+00  0.140929D+01  0.611619D+00 -0.348945D+00 -0.900217D+00
               146           147           148           149           150 
      1  -0.170740D+01 -0.900217D+00 -0.313254D+01  0.366583D+01  0.731165D+00
      2   0.216020D+01  0.547365D+00  0.366583D+01 -0.671380D+01 -0.180618D+01
      3   0.547365D+00  0.571299D+00  0.731165D+00 -0.180618D+01 -0.160443D+01
               151           152           153 
      1  -0.194991D+01  0.102928D+01  0.110103D+01
      2   0.102928D+01 -0.225391D+01 -0.152878D+01
      3   0.110103D+01 -0.152878D+01 -0.767562D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.213981D+01 -0.107045D+01  0.205051D+01  0.623940D-01 -0.575992D+01
      2   0.141803D+01  0.260061D+01  0.589470D+00  0.294239D+01  0.340052D+01
      3   0.108088D+02 -0.448796D+00  0.133309D+01  0.690013D+01 -0.531540D+01
                 6             7             8             9            10 
      1  -0.901199D+00  0.145904D+01  0.614245D+01  0.817924D+01  0.917166D+00
      2  -0.907559D+00 -0.629864D+01 -0.302408D+01 -0.390350D+01 -0.420071D+01
      3  -0.143502D+01  0.110728D+01 -0.277005D+01 -0.249552D+01 -0.616104D+01
                11            12            13            14            15 
      1  -0.427878D+00 -0.273183D+00 -0.220292D+01  0.640561D+00 -0.213031D+01
      2   0.118107D+01  0.255201D+01  0.196185D+00 -0.140177D+01 -0.891651D+00
      3  -0.931518D+01 -0.192925D+00 -0.248505D+01  0.369755D+01  0.280344D+01
                16            17            18            19            20 
      1   0.872050D+00  0.453536D+01  0.864025D+00  0.478396D+01 -0.246222D+01
      2  -0.557137D+01  0.682613D+00  0.106808D+02  0.240250D+01 -0.212482D+01
      3  -0.127445D+01  0.284901D+01  0.148397D+01 -0.115031D+02  0.337602D+01
                21            22            23            24            25 
      1  -0.494144D+01 -0.208350D+01  0.260570D+01 -0.116962D+01 -0.193232D+01
      2  -0.203585D+01 -0.247402D+01  0.174626D+01  0.442597D+01 -0.701418D+01
      3  -0.173921D+01  0.705477D+01  0.389082D+01  0.987040D+00 -0.157387D+01
                26            27            28            29            30 
      1   0.106564D+02 -0.544538D+01 -0.649053D+01 -0.397563D+00  0.236389D+01
      2   0.649085D+01 -0.461901D+01 -0.225525D+01 -0.169694D+01 -0.899910D+01
      3   0.272778D+01 -0.797824D+00  0.498913D+01 -0.309980D+01  0.148717D+00
                31            32            33            34            35 
      1  -0.253464D+01 -0.586803D+00  0.407848D+01 -0.470361D+01  0.222664D+02
      2  -0.837074D+00 -0.741638D+00 -0.240578D+01 -0.150481D+02  0.391456D+01
      3   0.207671D+01 -0.127032D+01 -0.227897D+00 -0.500565D+00 -0.988199D+00
                36            37            38            39            40 
      1  -0.387987D+00  0.974570D+00  0.206756D+01  0.111090D+01  0.252625D+01
      2   0.651668D+00 -0.777325D-01  0.396206D+00  0.408742D+01 -0.134398D+00
      3  -0.252287D+00 -0.332443D+01  0.260036D+01 -0.493239D-01  0.886344D+01
                41            42            43            44            45 
      1   0.722745D+01  0.191400D+01 -0.492233D+01  0.827998D+01 -0.625098D+01
      2   0.348831D+00 -0.203330D+01 -0.487032D+01 -0.669697D+00 -0.201718D+00
      3   0.580339D+01 -0.189603D+01  0.156039D+01 -0.343619D+01  0.205501D+01
                46            47            48            49            50 
      1   0.110815D+01 -0.269810D+01  0.298317D+01 -0.217243D+01  0.680893D+00
      2   0.172734D+01 -0.899218D+00  0.292711D+01 -0.508752D+00  0.186000D+01
      3   0.117208D+01 -0.134247D+01 -0.917322D+00  0.188413D+01  0.631659D+00
                51            52            53            54            55 
      1  -0.329381D+01  0.322125D+01 -0.543126D+01  0.108764D+02 -0.253913D+01
      2  -0.239551D+01  0.665107D+00 -0.532419D+01  0.888465D+01 -0.211777D+01
      3  -0.102273D+01 -0.308516D+01 -0.319563D+01  0.749095D+00 -0.265300D+01
                56            57            58            59            60 
      1   0.469918D+01  0.340850D+01  0.280557D+01 -0.329423D+01 -0.399170D+01
      2   0.273744D+01  0.365226D+01  0.127846D+01 -0.327322D+01 -0.291100D+01
      3  -0.263437D+01  0.103372D+01  0.291473D+01  0.122834D+01  0.327084D+00
                61            62            63            64            65 
      1   0.384258D+01 -0.417275D+01 -0.461908D+01  0.352065D+01 -0.215691D+00
      2   0.159921D+01 -0.422706D+01 -0.374855D+01  0.652446D+00  0.156398D+00
      3   0.291466D+01  0.168901D+01  0.112994D+00  0.186860D+01 -0.138454D+02
                66            67            68            69            70 
      1  -0.345480D+01  0.825983D+00  0.790990D+00 -0.366770D+01  0.187201D+01
      2   0.136163D+02  0.873542D+00  0.470922D+00  0.456517D+01  0.507353D+01
      3   0.308782D+00 -0.170261D+01 -0.739425D+01  0.339883D+00  0.136771D+01
                71            72            73            74            75 
      1  -0.490972D+01  0.552158D+00  0.875082D+00 -0.999024D+00 -0.379682D+00
      2  -0.430703D+00 -0.654922D+00  0.114722D+01 -0.513715D+00  0.561476D+00
      3   0.118252D+01 -0.843136D+00  0.589094D+00 -0.160964D+01  0.420603D+00
                76            77            78            79            80 
      1   0.163975D+01 -0.596452D+01 -0.552977D+01  0.739592D+00 -0.428237D+01
      2   0.613390D-01 -0.689253D+00  0.217454D+00 -0.158154D+01 -0.196108D+00
      3   0.446719D+01 -0.374582D+00  0.116882D+00  0.244192D+01  0.317588D+00
                81            82            83            84            85 
      1  -0.391240D+01 -0.505736D+00  0.240538D+00  0.365051D+00 -0.983137D-01
      2   0.528610D-01 -0.236535D+01  0.194322D+00  0.581670D+00  0.750237D-01
      3  -0.416804D+00 -0.172864D+01 -0.175244D+01 -0.645410D+00  0.115744D+01
                86            87            88            89            90 
      1   0.225553D+01 -0.401613D+01  0.392018D+01 -0.467995D+01  0.108164D+02
      2  -0.375439D-01  0.310969D+00 -0.179962D+01 -0.482592D+00 -0.395022D+00
      3  -0.985225D+00  0.633568D+00 -0.426810D+01  0.115386D+01 -0.166634D+01
                91            92            93            94            95 
      1   0.120633D+01  0.857826D+00 -0.216739D+01  0.109178D+01  0.263036D+01
      2  -0.110708D+01 -0.129157D+01  0.183718D+01 -0.106085D+01 -0.245643D+01
      3   0.307756D+01 -0.389792D+00 -0.976003D+00  0.456886D+01 -0.102375D+01
                96            97            98            99           100 
      1  -0.397215D+01 -0.158926D+01 -0.131121D+01  0.154619D+01 -0.134326D+01
      2   0.203998D+01  0.248312D+00  0.202037D+01 -0.127093D+01  0.243798D-01
      3   0.189449D+00 -0.272631D+01  0.138099D+01  0.628633D+00  0.115952D+00
               101           102           103           104           105 
      1   0.843628D+00 -0.189808D+01 -0.394091D-01 -0.982893D+00 -0.146653D+01
      2  -0.666407D-02  0.152792D+01 -0.759438D-01 -0.150774D+00  0.494056D-01
      3  -0.161115D+01  0.155636D+01  0.234792D+00  0.102997D+01 -0.352271D+00
               106           107           108           109           110 
      1  -0.259599D+01  0.572175D+00 -0.113983D+02 -0.401994D+00 -0.119825D+01
      2  -0.251911D+01  0.140280D+01  0.474428D+01  0.902796D+01 -0.392042D+00
      3   0.372067D+01 -0.155480D+01  0.153821D+01  0.999357D+01  0.112211D+02
               111           112           113           114           115 
      1  -0.147811D+00 -0.145836D+01  0.240120D+01 -0.415468D+00 -0.199747D+01
      2  -0.591549D+00 -0.224429D+00  0.860128D+01  0.246321D+01 -0.819529D+01
      3  -0.834872D+00  0.213428D+02 -0.744442D+01 -0.810289D+01 -0.263014D+00
               116           117           118           119           120 
      1   0.305190D+01 -0.334880D+01  0.109313D+00  0.343785D+00  0.301069D+00
      2   0.367187D+01 -0.181360D+02 -0.592025D+00 -0.472420D+00  0.108476D+01
      3  -0.836736D+01 -0.263329D+01  0.102088D+01 -0.411048D+00  0.177879D+00
               121           122           123           124           125 
      1   0.708774D+00 -0.673394D+00 -0.248748D+00 -0.194003D+00  0.342451D+01
      2   0.213697D+00 -0.134943D+01  0.424154D+00 -0.356558D+01  0.445990D+00
      3   0.230525D+01 -0.966106D+00  0.144299D+01 -0.949621D-01  0.188162D+01
               126           127           128           129           130 
      1  -0.993810D+00  0.597691D+00 -0.448008D-01  0.293137D+00  0.328899D-01
      2  -0.107395D+02  0.229625D+01 -0.214205D+00  0.192798D+01 -0.111451D+00
      3  -0.435978D+00 -0.436956D+00 -0.147338D+01 -0.278864D+00 -0.103184D+01
               131           132           133           134           135 
      1   0.766667D-01 -0.100649D+01  0.776182D+00  0.281602D+01  0.417202D+01
      2   0.155549D+01 -0.162146D+01  0.104889D+01 -0.216835D+01  0.218218D+02
      3   0.125545D+01 -0.158511D+01 -0.489100D+00 -0.339753D+01  0.160241D+01
               136           137           138           139           140 
      1   0.119634D+00 -0.514575D-01 -0.585240D+00  0.188866D-01 -0.427950D+00
      2  -0.339689D+01 -0.158497D+01  0.486057D+01 -0.173895D+01 -0.279977D+01
      3  -0.108795D+02 -0.103917D+02  0.199024D+01 -0.901843D+01 -0.106360D+02
               141           142           143           144           145 
      1  -0.126035D+01  0.452295D+00  0.112022D+01  0.157464D+00 -0.792077D+00
      2   0.413981D+01  0.274961D+01  0.180378D+01 -0.115560D+01 -0.242285D+01
      3   0.301742D+01  0.224666D+01  0.413307D+01 -0.208981D+01  0.303835D+01
               146           147           148           149           150 
      1   0.512915D+00  0.971396D+00  0.716833D+00 -0.136759D+01 -0.365202D+01
      2   0.167848D+01  0.254989D+01  0.152525D+01 -0.508348D+01 -0.546987D+01
      3  -0.672296D+01 -0.108346D+01 -0.580075D+01  0.178852D+02  0.492432D+01
               151           152           153 
      1   0.792416D+00 -0.227476D+00 -0.105917D+01
      2   0.134752D+01 -0.392231D+01 -0.217137D+01
      3  -0.108377D+01  0.639432D+01  0.346066D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.300831D+01  0.648515D+01  0.208639D+01  0.388663D+01 -0.382613D+01
      2  -0.258103D+01 -0.135343D+02  0.184951D+01 -0.116728D+02 -0.551225D+01
      3  -0.427274D+00  0.704917D+01 -0.393590D+01  0.778619D+01  0.933838D+01
      4  -0.188405D+00 -0.110691D+02  0.193209D+01 -0.109485D+02 -0.117305D+02
      5   0.288114D+01  0.352995D+01 -0.294573D+01  0.318031D+01  0.440146D+01
      6   0.369722D+01  0.205989D+01 -0.536472D+01  0.302493D+01  0.117021D+02
                 6             7             8             9            10 
      1  -0.329724D+01  0.281158D+01 -0.282219D+01  0.622738D+01 -0.119310D+02
      2   0.845873D+01  0.365180D+01  0.106815D+02  0.217534D+01  0.403496D+01
      3  -0.516149D+01 -0.646338D+01 -0.785935D+01 -0.840271D+01  0.789607D+01
      4   0.456971D+01  0.205981D+01  0.812988D+01 -0.994470D+01  0.659803D+01
      5  -0.226784D+01 -0.326431D+01 -0.504115D+01 -0.106032D+02 -0.721620D+01
      6  -0.158379D+01 -0.708132D+01 -0.439978D+01 -0.157561D+02 -0.369649D+00
                11            12            13            14            15 
      1   0.575692D+01 -0.351107D+01  0.949973D+01  0.112409D+02  0.156649D+01
      2  -0.438602D+00  0.192110D+01 -0.351514D+01 -0.533941D+01 -0.210606D+01
      3  -0.531832D+01  0.158997D+01 -0.598458D+01 -0.590148D+01  0.539575D+00
      4   0.208420D+01  0.127387D+01  0.819692D+01 -0.470918D+01 -0.204021D+01
      5   0.179847D+01 -0.130407D+01  0.923956D+00 -0.240527D+01 -0.166017D+01
      6  -0.377801D+00  0.779206D+00 -0.140970D+01 -0.608983D+00  0.112719D+01
                16            17            18            19            20 
      1  -0.867570D+01  0.215030D+01  0.908103D+01  0.305385D+00 -0.476548D+01
      2   0.234291D+01 -0.291585D+01  0.993740D+01 -0.212969D+01  0.904751D+01
      3   0.633279D+01  0.765541D+00 -0.190184D+02  0.182430D+01 -0.428203D+01
      4   0.668176D+00 -0.285365D+01 -0.136233D+01  0.512691D+01 -0.145560D+02
      5   0.332712D+01 -0.131875D+01  0.243570D+02  0.333066D+01 -0.532487D+01
      6  -0.320486D+00  0.452851D+01 -0.553762D+00 -0.512068D+01  0.367933D+01
                21            22            23            24            25 
      1   0.222002D+01  0.411513D+01 -0.488508D+01 -0.136091D+01  0.143005D+00
      2   0.229581D+01  0.507510D+00  0.104161D+02 -0.279901D+01  0.323606D+01
      3  -0.451583D+01 -0.462264D+01 -0.553099D+01  0.415992D+01 -0.337906D+01
      4  -0.389367D+01 -0.223817D+01  0.929878D+01  0.190928D+01 -0.611613D+01
      5  -0.718357D+01 -0.491432D+01  0.246510D+01  0.824042D+01 -0.772036D+01
      6   0.884706D+01  0.403459D+01 -0.444928D+01 -0.579583D+01  0.965439D+01
                26            27            28            29            30 
      1  -0.571999D+01  0.789761D+01 -0.447237D+02 -0.824240D+01 -0.282162D+00
      2  -0.281506D+01 -0.424436D+01  0.243063D+02 -0.241851D+00 -0.222258D+00
      3   0.853506D+01 -0.365325D+01  0.204174D+02  0.848425D+01  0.504420D+00
      4  -0.696543D+00  0.176089D+02 -0.250741D+02 -0.149641D+02  0.118314D+01
      5   0.127597D+02 -0.710877D+01  0.197530D+01  0.140421D+01 -0.125360D+02
      6  -0.160401D+02  0.123873D+02 -0.130196D+01 -0.554127D+00 -0.422333D+01
                31            32            33            34            35 
      1  -0.188369D+02 -0.930374D+00  0.165533D+00  0.783759D+00  0.797274D+00
      2   0.121545D+02 -0.379221D+01 -0.563741D+00 -0.108641D+01  0.812474D+00
      3   0.668236D+01  0.472258D+01  0.398208D+00  0.302650D+00 -0.160975D+01
      4  -0.619865D+01 -0.978397D+00  0.186253D+00  0.211347D+01  0.111218D+01
      5   0.216633D+01 -0.124526D+00 -0.382452D+01  0.344909D+01 -0.109529D+01
      6  -0.149167D+01  0.200083D+01 -0.291183D+01 -0.992480D+00  0.470751D+01
                36            37            38            39            40 
      1  -0.935421D+01  0.322997D+01 -0.412831D+00  0.265021D+01 -0.117443D+02
      2  -0.175887D+01  0.192183D+01 -0.278537D+01 -0.230706D+01  0.578597D+01
      3   0.111131D+02 -0.515180D+01  0.319820D+01 -0.343148D+00  0.595829D+01
      4  -0.340318D+01 -0.240548D+00  0.464034D+01 -0.312581D+00 -0.142918D+01
      5   0.183890D+01  0.350804D+00 -0.734067D+00  0.230281D+01 -0.273632D+00
      6  -0.726488D+00  0.192446D+01 -0.282789D+01  0.420783D+00 -0.153309D+01
                41            42            43            44            45 
      1   0.953855D+01  0.126686D+01  0.102444D+02 -0.110164D+01  0.145996D+02
      2  -0.113876D+02 -0.615327D+01 -0.516195D+01 -0.557637D+01 -0.919384D+01
      3   0.184904D+01  0.488641D+01 -0.508247D+01  0.667801D+01 -0.540580D+01
      4  -0.518418D+01 -0.149838D+01  0.253806D+01 -0.196100D+01  0.332844D+01
      5  -0.150748D+01 -0.145041D+01 -0.261754D+01  0.140151D+01 -0.419938D+01
      6  -0.118174D+02 -0.927157D+01  0.546519D+01 -0.159205D+02  0.110032D+02
                46            47            48            49            50 
      1   0.633527D+00  0.355615D+00  0.139008D+01  0.913081D+00 -0.743144D+01
      2  -0.925775D+00 -0.174709D+01 -0.191364D+01 -0.236000D+01  0.779946D+01
      3   0.292248D+00  0.139148D+01  0.523554D+00  0.144692D+01 -0.368021D+00
      4  -0.636938D+01  0.954117D+01 -0.559404D+01  0.526104D+01 -0.847274D+01
      5   0.592467D+01 -0.328987D+01  0.825230D+01 -0.100675D+01  0.424521D+01
      6  -0.484834D+01  0.321142D+01 -0.469763D+01  0.306724D+01 -0.814818D+01
                51            52            53            54            55 
      1   0.529531D+01  0.203689D+01  0.967909D+01 -0.127038D+02  0.782585D+01
      2  -0.456599D+01 -0.325897D+01 -0.548731D+01 -0.194909D+01  0.425484D+00
      3  -0.729321D+00  0.122209D+01 -0.419177D+01  0.146529D+02 -0.825133D+01
      4   0.536863D+01 -0.734613D+01  0.103505D+02 -0.133381D+02 -0.174125D+02
      5  -0.429171D+01  0.913118D+01 -0.974888D+01  0.175159D+02 -0.893736D+01
      6   0.103490D+02 -0.738521D+01  0.167780D+02 -0.234936D+02  0.705146D+01
                56            57            58            59            60 
      1  -0.571746D+00 -0.235957D+01  0.934112D+00 -0.748003D+01 -0.246968D+01
      2  -0.613112D+01 -0.863893D-01 -0.645186D+01  0.152334D+02  0.531693D+01
      3   0.670286D+01  0.244596D+01  0.551774D+01 -0.775340D+01 -0.284725D+01
      4   0.194536D+02  0.786205D+01  0.131165D+02 -0.178816D+02 -0.699162D+01
      5   0.607558D+01  0.798772D+01  0.428697D+01 -0.678194D+01 -0.550020D+01
      6  -0.637061D+01 -0.621588D+01 -0.524502D+01  0.970164D+01  0.874446D+01
                61            62            63            64            65 
      1  -0.242479D+01 -0.354139D+01 -0.431940D+01  0.892501D+02  0.166679D+02
      2   0.156570D-01  0.687753D+01  0.220586D+01 -0.485488D+02 -0.450652D+01
      3   0.240913D+01 -0.333614D+01  0.211353D+01 -0.407013D+02 -0.121614D+02
      4   0.107622D+02 -0.111315D+02 -0.112527D+02  0.380823D+02  0.280414D+02
      5   0.930232D+01 -0.931496D+01 -0.918701D+01 -0.328051D+01 -0.114984D+01
      6  -0.796103D+01  0.131138D+02  0.988741D+01  0.154376D+01  0.443429D+00
                66            67            68            69            70 
      1  -0.134063D+01  0.183431D+02  0.105737D+02  0.627804D-01 -0.199099D+01
      2   0.136211D+01 -0.634903D+01  0.768189D+00 -0.116236D+00  0.214030D+01
      3  -0.214767D-01 -0.119941D+02 -0.113419D+02  0.534560D-01 -0.149304D+00
      4  -0.564100D+00  0.288594D+02  0.204801D+02 -0.305132D+00 -0.680369D+00
      5   0.228884D+02 -0.117092D+01 -0.624849D+00  0.723260D+01  0.247309D+02
      6   0.580727D+01  0.639500D+00 -0.846602D+00  0.651061D+01  0.559808D+01
                71            72            73            74            75 
      1  -0.404347D-01  0.121553D+02  0.429361D+00 -0.182390D+01 -0.808699D+00
      2  -0.121197D+00 -0.105325D+02  0.137191D+01  0.312272D+01  0.703674D+00
      3   0.161632D+00 -0.162282D+01 -0.180127D+01 -0.129883D+01  0.105025D+00
      4  -0.344941D+00  0.882062D+01  0.162200D+01  0.869888D+01  0.269225D+01
      5   0.731013D+01 -0.247020D+01  0.730614D+00  0.173345D+01  0.243573D+01
      6   0.732381D+01  0.221008D-01  0.261582D+01  0.148902D+01  0.524898D+00
                76            77            78            79            80 
      1   0.219911D+01 -0.243084D+02 -0.763130D+01 -0.126634D+01 -0.102329D+02
      2  -0.975637D+00  0.346705D+02  0.973298D+01  0.739199D+00  0.117355D+02
      3  -0.122347D+01 -0.103622D+02 -0.210168D+01  0.527138D+00 -0.150254D+01
      4   0.558788D+01  0.175619D+01  0.901120D+00  0.339878D+01  0.121615D+01
      5   0.135585D+01  0.128610D+01  0.663102D+00  0.220828D+01  0.776058D+00
      6   0.104201D+00  0.161590D+02  0.113207D+02 -0.944552D+00  0.150669D+02
                81            82            83            84            85 
      1  -0.101459D+02 -0.525546D+00 -0.204754D+00 -0.794683D+00  0.263726D+01
      2   0.689176D+01 -0.134718D+01 -0.171937D+00  0.263187D+00 -0.249555D+01
      3   0.325415D+01  0.187273D+01  0.376691D+00  0.531496D+00 -0.141706D+00
      4   0.103221D+00 -0.284984D+01  0.334330D+01 -0.359636D+01  0.229568D+01
      5   0.117114D+01  0.713122D+00 -0.206964D+01  0.460799D+01 -0.752026D+00
      6   0.100811D+02 -0.342122D+01  0.863279D+00 -0.163927D+01  0.116011D+01
                86            87            88            89            90 
      1  -0.107346D+02  0.590723D+01 -0.308867D+01  0.110551D+02 -0.183983D+02
      2   0.102224D+02 -0.432799D+01  0.299015D+00 -0.603051D+01  0.169040D+01
      3   0.512218D+00 -0.157924D+01  0.278965D+01 -0.502461D+01  0.167079D+02
      4  -0.173079D+01  0.102629D+01 -0.545648D+01  0.134769D+01 -0.233707D+01
      5   0.109775D+01 -0.149349D+00  0.436915D+01 -0.135193D+01  0.211264D+01
      6  -0.708410D+01  0.975935D+01 -0.437520D+01  0.149459D+02 -0.209703D+02
                91            92            93            94            95 
      1   0.132756D+01 -0.299360D+01 -0.437156D+00 -0.322951D+01 -0.152767D+02
      2   0.624197D+01  0.113189D+02 -0.159509D+01  0.108548D+02  0.327285D+02
      3  -0.756953D+01 -0.832533D+01  0.203224D+01 -0.762528D+01 -0.174519D+02
      4   0.132388D+02  0.169222D+02 -0.394575D+01  0.156832D+02  0.220965D+02
      5  -0.350537D+01 -0.244906D+01  0.339185D+01 -0.228054D+01 -0.409333D+01
      6  -0.396423D+01 -0.348382D+01  0.384780D+01 -0.331887D+01 -0.931756D+01
                96            97            98            99           100 
      1   0.326185D+01 -0.550345D+00  0.570731D+01 -0.440377D+01  0.363251D+00
      2  -0.667341D+01 -0.201644D+01 -0.100942D+02  0.393835D+01 -0.245224D+01
      3   0.341156D+01  0.256678D+01  0.438688D+01  0.465421D+00  0.208899D+01
      4  -0.491955D+01 -0.644543D+01 -0.842846D+01  0.621983D+01  0.262179D+01
      5   0.303879D+01  0.417469D+01  0.444981D+01 -0.277230D+01  0.398850D+01
      6   0.743468D+01  0.536853D+01  0.983416D+01 -0.511207D+01  0.318292D+01
               101           102           103           104           105 
      1  -0.100094D+01  0.326151D+00 -0.189217D+01 -0.323635D+01 -0.292345D+01
      2   0.219211D+01 -0.214038D+01  0.304998D+01  0.273584D+01  0.254943D+01
      3  -0.119117D+01  0.181423D+01 -0.115781D+01  0.500508D+00  0.374022D+00
      4   0.469650D+01  0.347040D+01  0.305757D+01  0.320829D+01  0.173067D+01
      5   0.127253D+01  0.762273D+01 -0.276544D+00  0.139948D+01  0.811450D-01
      6   0.152539D+01  0.324689D+01  0.104645D+01  0.317276D+01  0.632821D+01
               106           107           108           109           110 
      1   0.473994D+00 -0.587907D+01 -0.149651D+02 -0.157008D+00 -0.196519D+02
      2  -0.356608D+01  0.308726D+01 -0.774184D+01 -0.127983D+01  0.135127D+02
      3   0.309208D+01  0.279180D+01  0.227070D+02  0.143684D+01  0.613920D+01
      4   0.508289D+01  0.368956D+01  0.749210D+01 -0.200425D+02 -0.204373D+02
      5   0.689452D+01  0.365164D+01  0.128619D+02  0.165698D+02 -0.106859D+01
      6   0.559579D+01  0.965693D+01  0.225907D+02 -0.194059D+01  0.297262D+01
               111           112           113           114           115 
      1   0.116364D+02 -0.265838D+02 -0.201206D+02  0.218591D+01  0.152282D+02
      2  -0.439824D+01  0.189876D+02  0.276035D+01 -0.515875D+01 -0.364016D+01
      3  -0.723811D+01  0.759626D+01  0.173602D+02  0.297284D+01 -0.115880D+02
      4  -0.121476D+01 -0.295410D+02  0.176602D+02  0.156436D+02 -0.165857D+01
      5  -0.293001D+01 -0.107767D+01  0.168110D+02  0.452350D+01 -0.729346D+01
      6   0.449844D+00  0.368357D+01 -0.528162D+01 -0.239590D+01  0.181497D+01
               116           117           118           119           120 
      1   0.135486D+01  0.140977D+01  0.342577D+01 -0.113012D+01 -0.285611D+01
      2  -0.516614D+01  0.529815D+01 -0.536257D+01  0.490450D+00  0.156745D+01
      3   0.381128D+01 -0.670792D+01  0.193679D+01  0.639665D+00  0.128866D+01
      4   0.159063D+02  0.559868D+01 -0.978013D+00  0.170600D+01 -0.778670D-01
      5   0.586678D+01 -0.325075D+02 -0.266468D+01 -0.474618D+00  0.782695D+01
      6  -0.313213D+01  0.696346D+01 -0.185193D+00 -0.171984D+00  0.350385D-01
               121           122           123           124           125 
      1  -0.491173D+00 -0.494702D+01  0.838812D+00 -0.402822D+01  0.123406D+01
      2  -0.719080D-01  0.710819D+00  0.633081D+00  0.476587D+01 -0.577027D-01
      3   0.563081D+00  0.423620D+01 -0.147189D+01 -0.737654D+00 -0.117636D+01
      4   0.158027D+01  0.111947D+01 -0.202956D+01  0.900228D+00 -0.230181D+01
      5  -0.486355D+00 -0.258630D+01  0.131640D+01  0.661423D+01  0.662048D+00
      6  -0.389724D+00 -0.388408D+00  0.764162D+01 -0.752681D-01  0.405667D+01
               126           127           128           129           130 
      1  -0.194122D+02  0.210420D+01  0.131098D+01  0.487981D+01  0.206633D+01
      2  -0.183252D+02 -0.300054D+01 -0.843189D+00 -0.336266D+01 -0.181633D+01
      3   0.377373D+02  0.896335D+00 -0.467793D+00 -0.151715D+01 -0.249998D+00
      4   0.130189D+01  0.110897D+01  0.303978D+01 -0.129710D+01  0.615188D+01
      5  -0.229147D+02  0.427306D+01 -0.713922D+00  0.697605D+01 -0.629716D+00
      6   0.100192D+00 -0.112744D+01 -0.602703D+00 -0.576084D+00  0.822575D+00
               131           132           133           134           135 
      1   0.103985D+01  0.672666D+00  0.111793D+02  0.127383D+00 -0.507088D+01
      2  -0.216703D+00 -0.233963D+00 -0.916294D+01  0.213860D+00 -0.135778D+02
      3  -0.823146D+00 -0.438703D+00 -0.201632D+01 -0.341242D+00  0.186487D+02
      4  -0.379776D+01  0.329545D+01 -0.368294D+01  0.599473D+01 -0.428778D+01
      5   0.306883D+01 -0.298561D+01  0.147193D+02 -0.461706D+01  0.411241D+02
      6  -0.124928D+01  0.554189D+01 -0.227472D+01  0.568218D+01 -0.944502D+01
               136           137           138           139           140 
      1   0.480494D+02  0.183113D+02 -0.768935D+01  0.306583D+02  0.152193D+02
      2  -0.251980D+02 -0.981574D+01  0.423177D+01 -0.155150D+02 -0.453859D+01
      3  -0.228514D+02 -0.849559D+01  0.345759D+01 -0.151432D+02 -0.106808D+02
      4   0.177781D+02  0.167251D+02 -0.295803D+01  0.217738D+02  0.188545D+02
      5  -0.875838D+01 -0.323503D+01  0.888056D+01 -0.463256D+01 -0.577667D+01
      6  -0.244465D+00 -0.272924D+00  0.336759D+00 -0.858770D+00 -0.516627D+00
               141           142           143           144           145 
      1  -0.359201D+01 -0.124817D+02 -0.297619D+01  0.584724D+01  0.140054D+02
      2   0.232937D+01  0.719936D+01  0.247987D+01 -0.520438D+01 -0.378724D+01
      3   0.126264D+01  0.528232D+01  0.496320D+00 -0.642857D+00 -0.102182D+02
      4  -0.576038D+01 -0.370526D+01 -0.702335D+01  0.408784D+01 -0.129963D+02
      5   0.721783D+01  0.113341D+02  0.472736D+01 -0.377315D+01 -0.605439D+01
      6   0.211658D+01  0.134662D+01  0.265671D+01 -0.191261D+01  0.250812D+01
               146           147           148           149           150 
      1  -0.805651D+01 -0.468185D+01 -0.124918D+02  0.509616D+01  0.387080D+00
      2   0.514485D+00  0.161724D+01 -0.832575D-01  0.136774D+02  0.300607D+01
      3   0.754203D+01  0.306461D+01  0.125750D+02 -0.187736D+02 -0.339315D+01
      4   0.178361D+02  0.453660D+01  0.262570D+02 -0.399636D+02 -0.107653D+02
      5   0.419145D+01  0.518592D+01  0.558762D+01 -0.108745D+02 -0.101840D+02
      6  -0.158251D+01 -0.157865D+01 -0.301553D+01  0.646786D+01  0.654424D+01
               151           152           153 
      1  -0.860822D+01  0.544384D+00  0.582455D+00
      2   0.328892D+01  0.271221D+01 -0.582601D+00
      3   0.531931D+01 -0.325660D+01  0.145427D-03
      4   0.756771D+01 -0.130057D+02 -0.863575D+01
      5   0.810645D+01 -0.909169D+01 -0.512443D+01
      6  -0.340802D+01  0.684356D+01  0.443061D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.125502D+01      0.318995D+01      0.106405D+02
   x          0.116988D+01      0.297354D+01      0.991865D+01
   y          0.447327D+00      0.113699D+01      0.379260D+01
   z         -0.797473D-01     -0.202697D+00     -0.676126D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.706838D+02      0.104743D+02      0.116542D+02
   aniso      0.205228D+02      0.304116D+01      0.338375D+01
   xx         0.820999D+02      0.121659D+02      0.135364D+02
   yx        -0.197655D+00     -0.292895D-01     -0.325889D-01
   yy         0.714870D+02      0.105933D+02      0.117866D+02
   zx         0.218277D+00      0.323453D-01      0.359890D-01
   zy        -0.409232D+00     -0.606419D-01     -0.674732D-01
   zz         0.584646D+02      0.866355D+01      0.963950D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.748758D+02      0.110955D+02      0.123454D+02
   aniso      0.225796D+02      0.334596D+01      0.372288D+01
   xx         0.874656D+02      0.129611D+02      0.144211D+02
   yx         0.253081D-01      0.375028D-02      0.417275D-02
   yy         0.757022D+02      0.112179D+02      0.124816D+02
   zx         0.320785D+00      0.475354D-01      0.528903D-01
   zy        -0.503874D+00     -0.746664D-01     -0.830776D-01
   zz         0.614597D+02      0.910739D+01      0.101333D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.07672834          1.57418556          1.82045665
     6          0.85782536         -0.60445233          1.88289168
     6         -0.82951146          2.68637749         -0.83724603
     6         -0.03734411          0.46082802         -2.49496395
     6          0.65280731         -1.74334559         -0.77375511
     1          0.69430021          4.08359179         -0.92942323
     1         -2.52308751          3.58878178         -1.58320327
     8          0.03084971          0.45457363         -4.76872348
     1          2.33496657         -2.71940700         -1.45007782
     1         -0.91586683         -3.09600251         -0.85827625
     1         -0.75526009          2.95042638          3.31939032
     1         -2.97577969          0.80081344          2.09156224
     6          0.45362206         -2.47435882          4.02665890
     1          2.74314012          0.23178300          2.07673504
     1         -1.40925412         -3.35575470          3.88178154
     1          0.56905560         -1.53916833          5.86303876
     1          1.86695971         -3.97707855          3.99398833

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.125502D+01      0.318995D+01      0.106405D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.125502D+01      0.318995D+01      0.106405D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.706838D+02      0.104743D+02      0.116542D+02
   aniso      0.205228D+02      0.304116D+01      0.338375D+01
   xx         0.599368D+02      0.888172D+01      0.988225D+01
   yx        -0.429091D+01     -0.635847D+00     -0.707475D+00
   yy         0.715971D+02      0.106096D+02      0.118048D+02
   zx        -0.615036D-01     -0.911389D-02     -0.101406D-01
   zy        -0.393226D+01     -0.582701D+00     -0.648343D+00
   zz         0.805175D+02      0.119315D+02      0.132755D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.748758D+02      0.110955D+02      0.123454D+02
   aniso      0.225796D+02      0.334596D+01      0.372288D+01
   xx         0.630101D+02      0.933713D+01      0.103890D+02
   yx        -0.458819D+01     -0.679900D+00     -0.756490D+00
   yy         0.757496D+02      0.112249D+02      0.124894D+02
   zx        -0.184657D+00     -0.273633D-01     -0.304458D-01
   zy        -0.420350D+01     -0.622894D+00     -0.693063D+00
   zz         0.858678D+02      0.127243D+02      0.141577D+02

 ----------------------------------------------------------------------
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 TIME IS NATURE'S WAY OF MAKING SURE EVERYTHING
 DOESN'T HAPPEN AT ONCE.
                     - WOODY ALLEN
 Job cpu time:       0 days  1 hours 18 minutes 12.7 seconds.
 Elapsed time:       0 days  0 hours  9 minutes 56.6 seconds.
 File lengths (MBytes):  RWF=    208 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:20:02 2021.
